Year |
Citation |
Score |
2020 |
Sajib MSJ, Wei Y, Mishra A, Zhang L, Nomura KI, Kalia RK, Vashishta P, Nakano A, Murad S, Wei T. Atomistic Simulations of Biofouling and Molecular Transfer of Crosslinked Aromatic Polyamide Membrane for Desalination. Langmuir : the Acs Journal of Surfaces and Colloids. PMID 32460500 DOI: 10.1021/Acs.Langmuir.0C01308 |
0.304 |
|
2020 |
Misawa M, Fukushima S, Koura A, Shimamura K, Shimojo F, Tiwari S, Nomura KI, Kalia RK, Nakano A, Vashishta P. Application of First-Principles-Based Artificial Neural Network Potentials to Multiscale-Shock Dynamics Simulations on Solid Materials. The Journal of Physical Chemistry Letters. 4536-4541. PMID 32443935 DOI: 10.1021/Acs.Jpclett.0C00637 |
0.348 |
|
2020 |
Bassman L, Liu K, Krishnamoorthy A, Linker T, Geng Y, Shebib D, Fukushima S, Shimojo F, Kalia RK, Nakano A, Vashishta P. Towards simulation of the dynamics of materials on quantum computers Physical Review B. 101. DOI: 10.1103/Physrevb.101.184305 |
0.323 |
|
2020 |
Nomura K, Kalia RK, Nakano A, Rajak P, Vashishta P. RXMD: A scalable reactive molecular dynamics simulator for optimized time-to-solution Softwarex. 11: 100389. DOI: 10.1016/J.Softx.2019.100389 |
0.361 |
|
2020 |
Krishnamoorthy A, Mishra A, Grabar N, Baradwaj N, K. Kalia R, Nakano A, Vashishta P. Evolutionary multi-objective optimization and Pareto-frontal uncertainty quantification of interatomic forcefields for thermal conductivity simulations Computer Physics Communications. 254: 107337. DOI: 10.1016/J.Cpc.2020.107337 |
0.31 |
|
2020 |
Zheng S, Javidpour L, Sahimi M, Shing KS, Nakano A. sDMD: An open source program for discontinuous molecular dynamics simulation of protein folding and aggregation Computer Physics Communications. 247: 106873. DOI: 10.1016/J.Cpc.2019.106873 |
0.395 |
|
2019 |
Linker TM, Tiwari SC, Kumazoe H, Fukushima S, Kalia RK, Nakano A, Ramprasad R, Shimojo F, Vashishta PD. Field-Induced Carrier Localization Transition in Dielectric Polymers. The Journal of Physical Chemistry Letters. PMID 31867972 DOI: 10.1021/Acs.Jpclett.9B03147 |
0.307 |
|
2019 |
Shimamura K, Fukushima S, Koura A, Shimojo F, Misawa M, Kalia RK, Nakano A, Vashishta P, Matsubara T, Tanaka S. Guidelines for creating artificial neural network empirical interatomic potential from first-principles molecular dynamics data under specific conditions and its application to α-AgSe. The Journal of Chemical Physics. 151: 124303. PMID 31575208 DOI: 10.1063/1.5116420 |
0.354 |
|
2019 |
Prezhdo OV, Li L, Lin MF, Zhang X, Britz A, Nakano A, Bergmann U, Fritz DM, Hoffmann MC, Vashishta PD, Krishnamoorthy A, Kalia RK, Ajayan PM, Ma R. Phonon-Suppressed Auger Scattering of Charge Carriers in Defective Two-Dimensional Transition Metal Dichalcogenides. Nano Letters. PMID 31434484 DOI: 10.1021/Acs.Nanolett.9B02005 |
0.316 |
|
2019 |
Apte A, Krishnamoorthy A, Hachtel JA, Susarla S, Yoon J, Sassi LM, Bharadwaj P, Tour JM, Idrobo JC, Kalia RK, Nakano A, Vashishta PD, Tiwary CS, Ajayan PM. Two-dimensional Lateral Epitaxy of 2H (MoSe2) - 1T' (ReSe2) Phases. Nano Letters. PMID 31356089 DOI: 10.1021/Acs.Nanolett.9B02476 |
0.301 |
|
2019 |
Kumazoe H, Fukushima S, Tiwari S, Kim C, Huan TD, Kalia RK, Nakano A, Ramprasad R, Shimojo F, Vashishta P. Hot-Carrier Dynamics and Chemistry in Dielectric Polymers. The Journal of Physical Chemistry Letters. 3937-3943. PMID 31264426 DOI: 10.1021/Acs.Jpclett.9B01344 |
0.309 |
|
2019 |
Krishnamoorthy A, Lin MF, Zhang X, Weninger C, Ma R, Britz A, Tiwary CS, Kochat V, Apte A, Yang J, Park S, Li R, Shen X, Wang X, Kalia R, Nakano A, et al. Optical Control of Non-Equilibrium Phonon Dynamics. Nano Letters. PMID 31260315 DOI: 10.1021/Acs.Nanolett.9B01179 |
0.337 |
|
2019 |
Hong S, Nomura KI, Krishnamoorthy A, Rajak P, Sheng C, Kalia RK, Nakano A, Vashishta PD. Defect Healing in Layered Materials: A Machine Learning-Assisted Characterization of MoS Crystal-Phases. The Journal of Physical Chemistry Letters. PMID 31046288 DOI: 10.1021/Acs.Jpclett.9B00425 |
0.326 |
|
2019 |
Misawa M, Hashimoto H, Kalia RK, Matsumoto S, Nakano A, Shimojo F, Takada J, Tiwari S, Tsuruta K, Vashishta P. Rapid and reversible lithiation of doped biogenous iron oxide nanoparticles. Scientific Reports. 9: 1828. PMID 30755700 DOI: 10.1038/S41598-019-38540-8 |
0.325 |
|
2019 |
Rajak P, Kalia RK, Nakano A, Vashishta P. Neural Network Analysis of Dynamic Fracture in a Layered Material Mrs Advances. 4: 1109-1117. DOI: 10.1557/Adv.2018.673 |
0.337 |
|
2019 |
Li Y, Nomura K, Insley JA, Morozov V, Kumaran K, Romero NA, Goddard WA, Kalia RK, Nakano A, Vashishta P. Scalable Reactive Molecular Dynamics Simulations for Computational Synthesis Computing in Science & Engineering. 21: 64-75. DOI: 10.1109/Mcse.2018.110150043 |
0.395 |
|
2019 |
Rajak P, Krishnamoorthy A, Nakano A, Vashishta P, Kalia R. Structural phase transitions in a
MoWSe2
monolayer: Molecular dynamics simulations and variational autoencoder analysis Physical Review B. 100. DOI: 10.1103/Physrevb.100.014108 |
0.348 |
|
2019 |
Krishnamoorthy A, Rajak P, Norouzzadeh P, Singh DJ, Kalia RK, Nakano A, Vashishta P. Thermal conductivity of MoS2 monolayers from molecular dynamics simulations Aip Advances. 9: 035042. DOI: 10.1063/1.5085336 |
0.311 |
|
2019 |
Tung I, Krishnamoorthy A, Sadasivam S, Zhou H, Zhang Q, Seyler KL, Clark G, Mannebach EM, Nyby C, Ernst F, Zhu D, Glownia JM, Kozina ME, Song S, Nelson S, ... ... Nakano A, et al. Anisotropic structural dynamics of monolayer crystals revealed by femtosecond surface X-ray scattering Nature Photonics. 13: 425-430. DOI: 10.1038/S41566-019-0387-5 |
0.319 |
|
2019 |
Shimojo F, Fukushima S, Kumazoe H, Misawa M, Ohmura S, Rajak P, Shimamura K, Bassman L, Tiwari S, Kalia RK, Nakano A, Vashishta P. QXMD: An open-source program for nonadiabatic quantum molecular dynamics Softwarex. 10: 100307. DOI: 10.1016/J.Softx.2019.100307 |
0.371 |
|
2019 |
Rizzo CB, Nakano A, de Barros FP. PAR2: Parallel Random Walk Particle Tracking Method for solute transport in porous media Computer Physics Communications. 239: 265-271. DOI: 10.1016/J.Cpc.2019.01.013 |
0.315 |
|
2019 |
Kunaseth M, Hannongbua S, Nakano A. Shift/collapse on neighbor list (SC-NBL): Fast evaluation of dynamic many-body potentials in molecular dynamics simulations Computer Physics Communications. 235: 88-94. DOI: 10.1016/J.Cpc.2018.09.021 |
0.382 |
|
2018 |
Zhou G, Rajak P, Susarla S, Ajayan PM, Kalia RK, Nakano A, Vashishta P. Molecular Simulation of MoS Exfoliation. Scientific Reports. 8: 16761. PMID 30425294 DOI: 10.1038/S41598-018-35008-Z |
0.371 |
|
2018 |
Wang B, Kalia RK, Nakano A, Vashishta PD. Dewetting of monolayer water and isopropanol between MoS nanosheets. Scientific Reports. 8: 16704. PMID 30420653 DOI: 10.1038/S41598-018-35163-3 |
0.322 |
|
2018 |
Shimamura K, Shimojo F, Nakano A, Tanaka S. Ab initio molecular dynamics study of prebiotic production processes of organic compounds at meteorite impacts on ocean. Journal of Computational Chemistry. PMID 30306615 DOI: 10.1002/Jcc.25606 |
0.301 |
|
2018 |
Sheng C, Hong S, Krishnamoorthy A, Kalia RK, Nakano A, Shimojo F, Vashishta P. Role of H transfer in the Gas-Phase Sulfidation Process of MoO: A Quantum Molecular Dynamics Study. The Journal of Physical Chemistry Letters. PMID 30296091 DOI: 10.1021/Acs.Jpclett.8B02151 |
0.349 |
|
2018 |
Bassman L, Krishnamoorthy A, Kumazoe H, Misawa M, Shimojo F, Kalia RK, Nakano A, Vashishta P. Electronic Origin of Optically-Induced Sub-Picosecond Lattice Dynamics in MoSe Monolayer. Nano Letters. PMID 29990437 DOI: 10.1021/Acs.Nanolett.8B00474 |
0.384 |
|
2018 |
Kumazoe H, Krishnamoorthy A, Bassman L, Kalia R, Nakano A, Shimojo F, Vashishta P. Photo-induced lattice contraction in layered materials. Journal of Physics. Condensed Matter : An Institute of Physics Journal. PMID 29957601 DOI: 10.1088/1361-648X/Aad022 |
0.345 |
|
2018 |
Apte A, Kochat V, Rajak P, Krishnamoorthy A, Manimunda P, Hachtel J, Idrobo JC, Syed Amanulla SA, Vashishta P, Nakano A, Kalia RK, Tiwary CS, Ajayan PM. Structural Phase Transformation in Strained Monolayer MoWSe2 alloy. Acs Nano. PMID 29481059 DOI: 10.1021/Acsnano.8B00248 |
0.324 |
|
2018 |
Mishra A, Rajak P, Tiwari S, Sheng C, Krishnamoorthy A, Nakano A, Kalia R, Vashishta P. Atomistic Study of Wet-heat Resistance of Calcium Dipicolinate in the Core of Spores Mrs Advances. 3: 1457-1462. DOI: 10.1557/Adv.2018.68 |
0.302 |
|
2018 |
Hong S, Krishnamoorthy A, Sheng C, Kalia RK, Nakano A, Vashishta P. A Reactive Molecular Dynamics Study of Atomistic Mechanisms During Synthesis of MoS2 Layers by Chemical Vapor Deposition Mrs Advances. 3: 307-311. DOI: 10.1557/Adv.2018.67 |
0.38 |
|
2018 |
Bassman L, Krishnamoorthy A, Nakano A, Kalia RK, Kumazoe H, Misawa M, Shimojo F, Vashishta P. Picosecond Electronic and Structural Dynamics in Photo-excited Monolayer MoSe2 Mrs Advances. 3: 391-396. DOI: 10.1557/Adv.2018.259 |
0.386 |
|
2018 |
Kumazoe H, Krishnamoorthy A, Bassman L, Shimojo F, Kalia RK, Nakano A, Vashishta P. Photo-induced Contraction of Layered Materials Mrs Advances. 3: 333-338. DOI: 10.1557/Adv.2018.127 |
0.37 |
|
2018 |
Mishra A, Krishnamoorthy A, Rajak P, Tiwari S, Sheng C, Kalia RK, Nakano A, Vashishta P. Free energy of hydration and heat capacity of calcium dipicolinate in Bacillus spore cores Applied Physics Letters. 113: 113702. DOI: 10.1063/1.5048507 |
0.307 |
|
2018 |
Rajak P, Mishra A, Sheng C, Tiwari S, Kalia RK, Nakano A, Vashishta P. Anisotropic frictional heating and defect generation in cyclotrimethylene-trinitramine molecular crystals Applied Physics Letters. 112: 211604. DOI: 10.1063/1.5025936 |
0.304 |
|
2018 |
Branicio PS, Zhang J, Rino JP, Nakano A, Kalia RK, Vashishta P. Plane shock loading on mono- and nano-crystalline silicon carbide Applied Physics Letters. 112: 111909. DOI: 10.1063/1.5025583 |
0.342 |
|
2018 |
Hong S, Sheng C, Krishnamoorthy A, Rajak P, Tiwari S, Nomura K, Misawa M, Shimojo F, Kalia RK, Nakano A, Vashishta P. Chemical Vapor Deposition Synthesis of MoS2 Layers from the Direct Sulfidation of MoO3 Surfaces Using Reactive Molecular Dynamics Simulations The Journal of Physical Chemistry C. 122: 7494-7503. DOI: 10.1021/Acs.Jpcc.7B12035 |
0.369 |
|
2017 |
Misawa M, Tiwari S, Hong S, Krishnamoorthy A, Shimojo F, Kalia RK, Nakano A, Vashishta P. Reactivity of Sulfur Molecules on MoO3 (010) Surface. The Journal of Physical Chemistry Letters. 6206-6210. PMID 29220193 DOI: 10.1021/Acs.Jpclett.7B03011 |
0.337 |
|
2017 |
Lin MF, Kochat V, Krishnamoorthy A, Bassman L, Weninger C, Zheng Q, Zhang X, Apte A, Tiwary CS, Shen X, Li R, Kalia R, Ajayan P, Nakano A, Vashishta P, et al. Ultrafast non-radiative dynamics of atomically thin MoSe2. Nature Communications. 8: 1745. PMID 29170416 DOI: 10.1038/S41467-017-01844-2 |
0.384 |
|
2017 |
Hong S, Krishnamoorthy A, Rajak P, Tiwari SC, Misawa M, Shimojo F, Kalia RK, Nakano A, Vashishta P. Computational Synthesis of MoS2 Layers by Reactive Molecular Dynamics Simulations: Initial Sulfidation of MoO3 Surfaces. Nano Letters. PMID 28671475 DOI: 10.1021/Acs.Nanolett.7B01727 |
0.366 |
|
2017 |
Misawa M, Ryuo E, Yoshida K, Kalia RK, Nakano A, Nishiyama N, Shimojo F, Vashishta P, Wakai F. Picosecond amorphization of SiO2 stishovite under tension. Science Advances. 3: e1602339. PMID 28508056 DOI: 10.1126/Sciadv.1602339 |
0.367 |
|
2017 |
Shimamura K, Shimojo F, Nakano A, Tanaka S. Meteorite impacts on ancient oceans opened up multiple NH3 production pathways. Physical Chemistry Chemical Physics : Pccp. PMID 28435960 DOI: 10.1039/C7Cp00870H |
0.315 |
|
2017 |
Hu Y, Nakano A, Wang J. Directional melting of alumina via polarized microwave heating Applied Physics Letters. 110: 44102. DOI: 10.1063/1.4973698 |
0.309 |
|
2017 |
Tiwari SC, Nomura K, Kalia RK, Nakano A, Vashishta P. Multiple Reaction Pathways in Shocked 2,4,6-Triamino-1,3,5-trinitrobenzene Crystal The Journal of Physical Chemistry C. 121: 16029-16034. DOI: 10.1021/Acs.Jpcc.7B05253 |
0.326 |
|
2017 |
Byun HS, El-Naggar MY, Kalia RK, Nakano A, Vashishta P. A derivation and scalable implementation of the synchronous parallel kinetic Monte Carlo method for simulating long-time dynamics Computer Physics Communications. 219: 246-254. DOI: 10.1016/J.Cpc.2017.05.028 |
0.384 |
|
2016 |
Shimamura K, Hakamata T, Shimojo F, Kalia RK, Nakano A, Vashishta P. Rotation mechanism of methylammonium molecules in organometal halide perovskite in cubic phase: An ab initio molecular dynamics study. The Journal of Chemical Physics. 145: 224503. PMID 27984900 DOI: 10.1063/1.4971791 |
0.33 |
|
2016 |
Shimamura K, Shimojo F, Nakano A, Tanaka S. Meteorite Impact-Induced Rapid NH3 Production on Early Earth: Ab Initio Molecular Dynamics Simulation. Scientific Reports. 6: 38953. PMID 27966594 DOI: 10.1038/Srep38953 |
0.324 |
|
2016 |
Li Y, Kalia RK, Misawa M, Nakano A, Nomura KI, Shimamura K, Shimojo F, Vashishta P. Anisotropic mechanoresponse of energetic crystallites: a quantum molecular dynamics study of nano-collision. Nanoscale. PMID 27110831 DOI: 10.1039/C5Nr08769D |
0.379 |
|
2016 |
Nomura K, Kalia RK, Li Y, Nakano A, Rajak P, Sheng C, Shimamura K, Shimojo F, Vashishta P. Nanocarbon synthesis by high-temperature oxidation of nanoparticles. Scientific Reports. 6: 24109. PMID 27095061 DOI: 10.1038/Srep24109 |
0.357 |
|
2016 |
Hakamata T, Shimamura K, Shimojo F, Kalia RK, Nakano A, Vashishta P. The nature of free-carrier transport in organometal halide perovskites. Scientific Reports. 6: 19599. PMID 26781627 DOI: 10.1038/Srep19599 |
0.317 |
|
2016 |
Sheng C, Nomura K, Rajak P, Nakano A, Kalia RK, Vashishta P. Quantum Molecular Dynamics Validation of Nanocarbon Synthesis by High-Temperature Oxidation of Nanoparticles Mrs Advances. 1: 1811-1816. DOI: 10.1557/Adv.2016.413 |
0.408 |
|
2016 |
Tiwari SC, Nomura K, Kalia R, Nakano A, Vashishta P. Shock-Induced Decomposition of 1, 3, 5-triamino-2, 4, 6-trinitrobenzene: A Reactive-Force-Field Molecular Dynamics Study Mrs Advances. 1: 1247-1253. DOI: 10.1557/Adv.2016.278 |
0.333 |
|
2016 |
Shimamura K, Misawa M, Ohmura S, Shimojo F, Kalia RK, Nakano A, Vashishta P. Crystalline anisotropy of shock-induced phenomena: Omni-directional multiscale shock technique Applied Physics Letters. 108: 071901. DOI: 10.1063/1.4942191 |
0.33 |
|
2016 |
Ohmura S, Tsuruta K, Shimojo F, Nakano A. Doping effect on photoabsorption and charge-separation dynamics in light-harvesting organic molecule Aip Advances. 6: 015305. DOI: 10.1063/1.4939848 |
0.327 |
|
2016 |
Suk Byun H, Nakano CM, Ma H, Pirbadian S, Nakano A, Wei T, El-Naggar MY. Divide-Conquer-Recombine Kinetic Monte Carlo Simulations of Electron Transfer in the Extracellular Redox Network of Shewanella oneidensis MR-1 Biophysical Journal. 110: 314a. DOI: 10.1016/J.Bpj.2015.11.1687 |
0.331 |
|
2015 |
Lluri G, Huang V, Touma M, Liu X, Harmon AW, Nakano A. Hematopoietic progenitors are required for proper development of coronary vasculature. Journal of Molecular and Cellular Cardiology. PMID 26241844 DOI: 10.1016/J.Yjmcc.2015.07.021 |
0.39 |
|
2015 |
Li Y, Kalia RK, Nakano A, Vashishta P. Reactive molecular dynamics study of oxidation of aggregated aluminum nanoparticles Materials Research Society Symposium Proceedings. 1758: 1-6. DOI: 10.1557/Opl.2015.26 |
0.313 |
|
2015 |
Vashishta P, Kalia RK, Nakano A, Li Y, Nomura KI, Shekhar A, Shimojo F, Shimamura K, Kunaseth M. Reactive molecular dynamics simulations, data analytics and visualization Materials Research Society Symposium Proceedings. 1756: 1-12. DOI: 10.1557/Opl.2015.201 |
0.352 |
|
2015 |
Romero NA, Nakano A, Riley KM, Shimojo F, Kalia RK, Vashishta P, Messina PC. Quantum Molecular Dynamics in the Post-Petaflops Era Computer. 48: 33-41. DOI: 10.1109/Mc.2015.337 |
0.358 |
|
2015 |
Shimamura K, Misawa M, Li Y, Kalia RK, Nakano A, Shimojo F, Vashishta P. A crossover in anisotropic nanomechanochemistry of van der Waals crystals Applied Physics Letters. 107: 231903. DOI: 10.1063/1.4937268 |
0.333 |
|
2015 |
Brown E, Sheng C, Shimamura K, Shimojo F, Nakano A. Enhanced charge recombination due to surfaces and twin defects in GaAs nanostructures Journal of Applied Physics. 117. DOI: 10.1063/1.4907534 |
0.358 |
|
2015 |
Nomura KI, Small PE, Kalia RK, Nakano A, Vashishta P. An extended-Lagrangian scheme for charge equilibration in reactive molecular dynamics simulations Computer Physics Communications. 192: 91-96. DOI: 10.1016/J.Cpc.2015.02.023 |
0.399 |
|
2014 |
Shimamura K, Shimojo F, Kalia RK, Nakano A, Nomura K, Vashishta P. Hydrogen-on-demand using metallic alloy nanoparticles in water. Nano Letters. 14: 4090-6. PMID 24960149 DOI: 10.1021/Nl501612V |
0.336 |
|
2014 |
Shimojo F, Hattori S, Kalia RK, Kunaseth M, Mou W, Nakano A, Nomura K, Ohmura S, Rajak P, Shimamura K, Vashishta P. A divide-conquer-recombine algorithmic paradigm for large spatiotemporal quantum molecular dynamics simulations. The Journal of Chemical Physics. 140: 18A529. PMID 24832337 DOI: 10.1063/1.4869342 |
0.423 |
|
2014 |
Sheng C, Brown E, Shimojo F, Nakano A. Twin superlattice-induced large surface recombination velocity in GaAs nanostructures Applied Physics Letters. 105. DOI: 10.1063/1.4903487 |
0.343 |
|
2014 |
Li Y, Kalia RK, Nakano A, Nomura KI, Vashishta P. Multistage reaction pathways in detonating high explosives Applied Physics Letters. 105. DOI: 10.1063/1.4902128 |
0.343 |
|
2014 |
Shekhar A, Kalia RK, Nakano A, Vashishta P, Alm CK, Malthe-Sørenssen A. Universal stretched exponential relaxation in nanoconfined water Applied Physics Letters. 105. DOI: 10.1063/1.4899279 |
0.336 |
|
2014 |
Choubey A, Nomura KI, Kalia RK, Nakano A, Vashishta P. Small interfering ribonucleic acid induces liquid-to-ripple phase transformation in a phospholipid membrane Applied Physics Letters. 105. DOI: 10.1063/1.4896273 |
0.323 |
|
2014 |
Seymour R, Hemeryck A, Nomura KI, Wang W, Kalia RK, Nakano A, Vashishta P. Nanoindentation of NiAl and Ni3Al crystals on (100), (110), and (111) surfaces: A molecular dynamics study Applied Physics Letters. 104. DOI: 10.1063/1.4867168 |
0.351 |
|
2014 |
Vashishta P, Shimojo F, Ohmura S, Shimamura K, Mou W, Kalia RK, Nakano A. Rapid hydrogen production from water using aluminum nanoclusters: A quantum molecular dynamics simulation study Solid State Ionics. 262: 908-910. DOI: 10.1016/J.Ssi.2013.12.025 |
0.322 |
|
2013 |
Shekhar A, Nomura K, Kalia RK, Nakano A, Vashishta P. Nanobubble collapse on a silica surface in water: billion-atom reactive molecular dynamics simulations. Physical Review Letters. 111: 184503. PMID 24237524 DOI: 10.1103/Physrevlett.111.184503 |
0.372 |
|
2013 |
Yuan Z, Nakano A. Self-replicating twins in nanowires. Nano Letters. 13: 4925-30. PMID 24073636 DOI: 10.1021/Nl402881V |
0.346 |
|
2013 |
Shimamura K, Shimojo F, Kalia RK, Nakano A, Vashishta P. Bonding and structure of ceramic-ceramic interfaces. Physical Review Letters. 111: 066103. PMID 23971593 DOI: 10.1103/Physrevlett.111.066103 |
0.329 |
|
2013 |
Choubey A, Kalia RK, Malmstadt N, Nakano A, Vashishta P. Cholesterol translocation in a phospholipid membrane. Biophysical Journal. 104: 2429-36. PMID 23746515 DOI: 10.1016/J.Bpj.2013.04.036 |
0.312 |
|
2013 |
Nakano H, Liu X, Arshi A, Nakashima Y, van Handel B, Sasidharan R, Harmon AW, Shin JH, Schwartz RJ, Conway SJ, Harvey RP, Pashmforoush M, Mikkola HK, Nakano A. Haemogenic endocardium contributes to transient definitive haematopoiesis. Nature Communications. 4: 1564. PMID 23463007 DOI: 10.1038/Ncomms2569 |
0.403 |
|
2013 |
Li Y, Nakano A, Kalia RK, Vashishta P. Oxidation dynamics of aluminum nanorods Materials Research Society Symposium Proceedings. 1521: 37-42. DOI: 10.1557/Opl.2013.131 |
0.308 |
|
2013 |
Li Y, Kalia RK, Nakano A, Vashishta P. Size effect on the oxidation of aluminum nanoparticle: Multimillion-atom reactive molecular dynamics simulations Journal of Applied Physics. 114. DOI: 10.1063/1.4823984 |
0.308 |
|
2013 |
Yuan Z, Shimamura K, Shimojo F, Nakano A. Critical size for the generation of misfit dislocations and their effects on electronic properties in GaAs nanosheets on Si substrate Journal of Applied Physics. 114: 074316. DOI: 10.1063/1.4818957 |
0.36 |
|
2013 |
Shimamura K, Yuan Z, Shimojo F, Nakano A. Effects of twins on the electronic properties of GaAs Applied Physics Letters. 103: 022105. DOI: 10.1063/1.4811746 |
0.332 |
|
2013 |
Mou W, Hattori S, Rajak P, Shimojo F, Nakano A. Nanoscopic mechanisms of singlet fission in amorphous molecular solid Applied Physics Letters. 102. DOI: 10.1063/1.4795138 |
0.384 |
|
2013 |
Hattori S, Mou W, Rajak P, Shimojo F, Nakano A. Interfacial design for reducing charge recombination in photovoltaics Applied Physics Letters. 102. DOI: 10.1063/1.4794983 |
0.328 |
|
2013 |
Peng L, Tan G, Kalia RK, Nakano A, Vashishta P, Fan D, Zhang H, Song F. Scalability study of molecular dynamics simulation on Godson-T many-core architecture Journal of Parallel and Distributed Computing. 73: 1469-1482. DOI: 10.1016/J.Jpdc.2012.07.007 |
0.327 |
|
2013 |
Branicio PS, Nakano A, Kalia RK, Vashishta P. Shock loading on AlN ceramics: A large scale molecular dynamics study International Journal of Plasticity. 51: 122-131. DOI: 10.1016/J.Ijplas.2013.06.002 |
0.326 |
|
2013 |
Shimojo F, Ohmura S, Mou W, Kalia RK, Nakano A, Vashishta P. Large nonadiabatic quantum molecular dynamics simulations on parallel computers Computer Physics Communications. 184: 1-8. DOI: 10.1016/J.Cpc.2012.08.001 |
0.42 |
|
2013 |
Choubey A, Kalia RK, Nakano A, Vashishta P. Barriers to SIRNA Transfection through a Phospholipid Bilayer Biophysical Journal. 104: 663a-664a. DOI: 10.1016/J.Bpj.2012.11.3663 |
0.322 |
|
2013 |
Kunaseth M, Richards DF, Glosli JN, Kalia RK, Nakano A, Vashishta P. Analysis of scalable data-privatization threading algorithms for hybrid MPI/OpenMP parallelization of molecular dynamics The Journal of Supercomputing. 66: 406-430. DOI: 10.1007/S11227-013-0915-X |
0.302 |
|
2012 |
Mou W, Ohmura S, Hattori S, Nomura K, Shimojo F, Nakano A. Enhanced charge transfer by phenyl groups at a rubrene/C60 interface. The Journal of Chemical Physics. 136: 184705. PMID 22583307 DOI: 10.1063/1.4712616 |
0.35 |
|
2012 |
Clark R, Wang W, Nomura K, Kalia RK, Nakano A, Vashishta P. Heat-Initiated Oxidation of an Aluminum Nanoparticle Mrs Proceedings. 1405. DOI: 10.1557/Opl.2012.62 |
0.322 |
|
2012 |
Nomura K, Kalia RK, Nakano A, Vashishta P, van Duin ACT. Mechanochemistry of shock-induced nanobubble collapse near silica in water Applied Physics Letters. 101: 073108. DOI: 10.1063/1.4746270 |
0.348 |
|
2012 |
Hattori S, Kalia RK, Nakano A, Nomura KI, Vashishta P. Ion dynamics at porous alumina surfaces Applied Physics Letters. 101. DOI: 10.1063/1.4742869 |
0.339 |
|
2012 |
Mou W, Ohmura S, Shimojo F, Nakano A. Molecular control of photoexcited charge transfer and recombination at a quaterthiophene/zinc oxide interface Applied Physics Letters. 100. DOI: 10.1063/1.4719206 |
0.335 |
|
2012 |
Yuan Z, Nomura KI, Nakano A. A core/shell mechanism for stacking-fault generation in GaAs nanowires Applied Physics Letters. 100. DOI: 10.1063/1.3703765 |
0.34 |
|
2012 |
Yuan Z, Nomura K, Nakano A. Core/shell structural transformation and brittle-to-ductile transition in nanowires Applied Physics Letters. 100: 153116. DOI: 10.1063/1.3703303 |
0.356 |
|
2012 |
Ngo VA, Kalia RK, Nakano A, Vashishta P. Supercrystals of DNA-functionalized gold nanoparticles: A million-atom molecular dynamics simulation study Journal of Physical Chemistry C. 116: 19579-19585. DOI: 10.1021/Jp306133V |
0.301 |
|
2012 |
Ngo VA, Choubey A, Kalia R, Nakano A, Vashishta P. Small Interfering RNA Transfection Barriers Across a Lipid Membrane Biophysical Journal. 102: 638a. DOI: 10.1016/J.Bpj.2011.11.3473 |
0.329 |
|
2012 |
Choubey A, Nomura K, Kalia R, Nakano A, Vashishta P. Cholesterol Flip-Flop Dynamics in a Phospholipid Bilayer: All Atom Molecular Dynamics Simulations Biophysical Journal. 102: 241a. DOI: 10.1016/J.Bpj.2011.11.1329 |
0.367 |
|
2011 |
Ohmura S, Shimojo F, Kalia RK, Kunaseth M, Nakano A, Vashishta P. Reaction of aluminum clusters with water. The Journal of Chemical Physics. 134: 244702. PMID 21721652 DOI: 10.1063/1.3602326 |
0.306 |
|
2011 |
Li Y, Clark R, Nakano A, Kalia RK, Vashishta P. Molecular dynamics study of size dependence of combustion of aluminum nanoparticles Materials Research Society Symposium Proceedings. 1405: 1-6. DOI: 10.1557/Opl.2012.346 |
0.321 |
|
2011 |
Shimojo F, Ohmura S, Nakano A, Kalia RK, Vashishta P. Large-scale atomistic simulations of nanostructured materials based on divide-and-conquer density functional theory Epj Web of Conferences. 15. DOI: 10.1140/Epjst/E2011-01418-Y |
0.401 |
|
2011 |
Mou W, Ohmura S, Hemeryck A, Shimojo F, Kalia RK, Nakano A, Vashishta P. Effects of solvation shells and cluster size on the reaction of aluminum clusters with water Aip Advances. 1. DOI: 10.1063/1.3664751 |
0.309 |
|
2011 |
Nomura KI, Chen YC, Kalia RK, Nakano A, Vashishta P. Defect migration and recombination in nanoindentation of silica glass Applied Physics Letters. 99. DOI: 10.1063/1.3637052 |
0.35 |
|
2011 |
Yuan Z, Chen H, Wang W, Nomura K, Kalia RK, Nakano A, Vashishta P. Sulfur-impurity induced amorphization of nickel Journal of Applied Physics. 110: 063501. DOI: 10.1063/1.3636368 |
0.364 |
|
2011 |
Ohmura S, Koga S, Akai I, Shimojo F, Kalia RK, Nakano A, Vashishta P. Atomistic mechanisms of rapid energy transport in light-harvesting molecules Applied Physics Letters. 98: 113302. DOI: 10.1063/1.3565962 |
0.312 |
|
2011 |
Vashishta P, Kalia RK, Nakano A, Rino JP. Interaction potential for aluminum nitride: A molecular dynamics study of mechanical and thermal properties of crystalline and amorphous aluminum nitride Journal of Applied Physics. 109. DOI: 10.1063/1.3525983 |
0.362 |
|
2011 |
Choubey A, Vedadi M, Nomura KI, Kalia RK, Nakano A, Vashishta P. Poration of lipid bilayers by shock-induced nanobubble collapse Applied Physics Letters. 98. DOI: 10.1016/J.Bpj.2011.11.3957 |
0.331 |
|
2011 |
Peng L, Kunaseth M, Dursun H, Nomura K, Wang W, Kalia RK, Nakano A, Vashishta P. Exploiting hierarchical parallelisms for molecular dynamics simulation on multicore clusters The Journal of Supercomputing. 57: 20-33. DOI: 10.1007/S11227-011-0560-1 |
0.328 |
|
2010 |
Vedadi M, Choubey A, Nomura K, Kalia RK, Nakano A, Vashishta P, van Duin AC. Structure and dynamics of shock-induced nanobubble collapse in water. Physical Review Letters. 105: 014503. PMID 20867452 DOI: 10.1103/Physrevlett.105.014503 |
0.334 |
|
2010 |
Chen HP, Kalia RK, Kaxiras E, Lu G, Nakano A, Nomura K, van Duin AC, Vashishta P, Yuan Z. Embrittlement of metal by solute segregation-induced amorphization. Physical Review Letters. 104: 155502. PMID 20481998 DOI: 10.1103/Physrevlett.104.155502 |
0.332 |
|
2010 |
Shimojo F, Ohmura S, Kalia RK, Nakano A, Vashishta P. Molecular dynamics simulations of rapid hydrogen production from water using aluminum clusters as catalyzers. Physical Review Letters. 104: 126102. PMID 20366551 DOI: 10.1103/Physrevlett.104.126102 |
0.33 |
|
2010 |
Shimojo F, Wu Z, Nakano A, Kalia RK, Vashishta P. Density functional study of 1,3,5-trinitro-1,3,5-triazine molecular crystal with van der Waals interactions. The Journal of Chemical Physics. 132: 094106. PMID 20210388 DOI: 10.1063/1.3336452 |
0.323 |
|
2010 |
Branicio PS, Kalia RK, Nakano A, Vashishta P. Nanoductility induced brittle fracture in shocked high performance ceramics Applied Physics Letters. 97. DOI: 10.1063/1.3478003 |
0.378 |
|
2010 |
Wang W, Clark R, Nakano A, Kalia RK, Vashishta P. Effects of oxide-shell structures on the dynamics of oxidation of Al nanoparticles Applied Physics Letters. 96. DOI: 10.1063/1.3425888 |
0.335 |
|
2009 |
Chen YC, Nomura K, Kalia RK, Nakano A, Vashishta P. Void deformation and breakup in shearing silica glass. Physical Review Letters. 103: 035501. PMID 19659293 DOI: 10.1103/Physrevlett.103.035501 |
0.315 |
|
2009 |
Nomura K, Chen Y, Weiqiang W, Kalia RK, Nakano A, Vashishta P, Yang LH. Interaction and coalescence of nanovoids and dynamic fracture in silica glass: multimillion-to-billion atom molecular dynamics simulations Journal of Physics D: Applied Physics. 42: 214011. DOI: 10.1088/0022-3727/42/21/214011 |
0.402 |
|
2009 |
Wang W, Clark R, Nakano A, Kalia RK, Vashishta P. Fast reaction mechanism of a core(Al)-shell (Al2O3) nanoparticle in oxygen Applied Physics Letters. 95. DOI: 10.1063/1.3268436 |
0.329 |
|
2009 |
Shimojo F, Nakano A, Kalia RK, Vashishta P. Enhanced reactivity of nanoenergetic materials: A first-principles molecular dynamics study based on divide-and-conquer density functional theory Applied Physics Letters. 95. DOI: 10.1063/1.3189143 |
0.371 |
|
2009 |
Nishimura K, Chen H, Kalia RK, Nakano A, Nomura K, Vashishta P, Shimojo F. Response to “Comment on ‘Nanoindentation hardness anisotropy of alumina crystal: a molecular-dynamics study’” [Appl. Phys. Lett. 94, 146101 (2009)] Applied Physics Letters. 94: 146102. DOI: 10.1063/1.3114376 |
0.321 |
|
2009 |
Vashishta P, Kalia RK, Nakano A, Rino JP. Erratum: “Molecular dynamics simulation studies of amorphous and liquid alumina” [J. Appl. Phys. 103, 083504 (2008)] Journal of Applied Physics. 105: 059901. DOI: 10.1063/1.3099561 |
0.363 |
|
2009 |
Wei T, Mu S, Nakano A, Shing K. A hybrid multi-loop genetic-algorithm/simplex/spatial-grid method for locating the optimum orientation of an adsorbed protein on a solid surface Computer Physics Communications. 180: 669-674. DOI: 10.1016/J.Cpc.2008.11.008 |
0.309 |
|
2008 |
Shimojo F, Nakano A, Kalia RK, Vashishta P. Electronic processes in fast thermite chemical reactions: a first-principles molecular dynamics study. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 77: 066103. PMID 18643332 DOI: 10.1103/Physreve.77.066103 |
0.342 |
|
2008 |
Shimojo F, Kalia RK, Nakano A, Vashishta P. Divide-and-conquer density functional theory on hierarchical real-space grids: Parallel implementation and applications Physical Review B - Condensed Matter and Materials Physics. 77. DOI: 10.1103/Physrevb.77.085103 |
0.362 |
|
2008 |
Shimojo F, Kalia RK, Nakano A, Nomura K, Vashishta P. Metascalable molecular dynamics simulation of nano-mechano-chemistry Journal of Physics: Condensed Matter. 20: 294204. DOI: 10.1088/0953-8984/20/29/294204 |
0.42 |
|
2008 |
Chen YC, Nomura KI, Kalia RK, Nakano A, Vashishta P. Molecular dynamics nanoindentation simulation of an energetic material Applied Physics Letters. 93. DOI: 10.1063/1.3006428 |
0.405 |
|
2008 |
Nishimura K, Kalia RK, Nakano A, Vashishta P. Nanoindentation hardness anisotropy of alumina crystal: A molecular dynamics study Applied Physics Letters. 92. DOI: 10.1063/1.2913016 |
0.359 |
|
2008 |
Vashishta P, Kalia RK, Nakano A, Rino JP. Interaction potentials for alumina and molecular dynamics simulations of amorphous and liquid alumina Journal of Applied Physics. 103. DOI: 10.1063/1.2901171 |
0.388 |
|
2008 |
Zhang C, Kalia RK, Nakano A, Vashishta P, Branicio PS. Deformation mechanisms and damage in α -alumina under hypervelocity impact loading Journal of Applied Physics. 103. DOI: 10.1063/1.2891797 |
0.354 |
|
2008 |
Branicio PS, Kalia RK, Nakano A, Vashishta P, Shimojo F, Rino JP. Atomistic damage mechanisms during hypervelocity projectile impact on AlN: A large-scale parallel molecular dynamics simulation study Journal of the Mechanics and Physics of Solids. 56: 1955-1988. DOI: 10.1016/J.Jmps.2007.11.004 |
0.373 |
|
2008 |
Nakano A. A space-time-ensemble parallel nudged elastic band algorithm for molecular kinetics simulation Computer Physics Communications. 178: 280-289. DOI: 10.1016/J.Cpc.2007.09.011 |
0.363 |
|
2008 |
Nomura Ki, Kalia RK, Nakano A, Vashishta P. A scalable parallel algorithm for large-scale reactive force-field molecular dynamics simulations Computer Physics Communications. 178: 73-87. DOI: 10.1016/J.Cpc.2007.08.014 |
0.395 |
|
2007 |
Chen YC, Lu Z, Nomura K, Wang W, Kalia RK, Nakano A, Vashishta P. Interaction of voids and nanoductility in silica glass. Physical Review Letters. 99: 155506. PMID 17995183 DOI: 10.1103/Physrevlett.99.155506 |
0.333 |
|
2007 |
Nomura K, Kalia RK, Nakano A, Vashishta P, van Duin AC, Goddard WA. Dynamic transition in the structure of an energetic crystal during chemical reactions at shock front prior to detonation. Physical Review Letters. 99: 148303. PMID 17930730 DOI: 10.1103/Physrevlett.99.148303 |
0.384 |
|
2007 |
Umezawa N, Kalia RK, Nakano A, Vashista P, Shimojo F. 1,3,5-trinitro-1,3,5-triazine decomposition and chemisorption on Al(111) surface: first-principles molecular dynamics study. The Journal of Chemical Physics. 126: 234702. PMID 17600430 DOI: 10.1063/1.2200352 |
0.365 |
|
2007 |
Vashishta P, Kalia RK, Nakano A, Homan BE, McNesby KL. Multimillion atom reactive simulations of nanostructured energetic materials Journal of Propulsion and Power. 23: 688-692. DOI: 10.2514/1.25651 |
0.451 |
|
2007 |
Nomura KI, Kalia RK, Nakano A, Vashishta P. Reactive nanojets: Nanostructure-enhanced chemical reactions in a defected energetic crystal Applied Physics Letters. 91. DOI: 10.1063/1.2804557 |
0.374 |
|
2007 |
Zhang C, Kalia RK, Nakano A, Vashishta P. Fracture initiation mechanisms in α -alumina under hypervelocity impact Applied Physics Letters. 91. DOI: 10.1063/1.2786865 |
0.347 |
|
2007 |
Chen HP, Kalia RK, Nakano A, Vashishta P, Szlufarska I. Multimillion-atom nanoindentation simulation of crystalline silicon carbide: Orientation dependence and anisotropic pileup Journal of Applied Physics. 102. DOI: 10.1063/1.2781324 |
0.35 |
|
2007 |
Szlufarska I, Kalia RK, Nakano A, Vashishta P. A molecular dynamics study of nanoindentation of amorphous silicon carbide Journal of Applied Physics. 102. DOI: 10.1063/1.2756059 |
0.356 |
|
2007 |
Zhang C, Kalia RK, Nakano A, Vashishta P. Hypervelocity impact induced deformation modes in α -alumina Applied Physics Letters. 91. DOI: 10.1063/1.2753092 |
0.341 |
|
2007 |
Vashishta P, Kalia RK, Nakano A, Rino JP. Interaction potential for silicon carbide: A molecular dynamics study of elastic constants and vibrational density of states for crystalline and amorphous silicon carbide Journal of Applied Physics. 101. DOI: 10.1063/1.2724570 |
0.346 |
|
2007 |
Chen J, Teng H, Nakano A. Wavelet-based multi-scale coarse graining approach for DNA molecules Finite Elements in Analysis and Design. 43: 346-360. DOI: 10.1016/J.Finel.2006.12.004 |
0.32 |
|
2007 |
Vashishta P, Kalia RK, Nakano A. Multimillion atom simulations of dynamics of wing cracks and nanoscale damage in glass, and hypervelocity impact damage in ceramics Computer Physics Communications. 177: 202-205. DOI: 10.1016/J.Cpc.2007.02.097 |
0.408 |
|
2007 |
Nakano A. Pathfinder: A parallel search algorithm for concerted atomistic events Computer Physics Communications. 176: 292-299. DOI: 10.1016/J.Cpc.2006.11.003 |
0.316 |
|
2007 |
Nakano A, Kalia RK, Nomura K, Sharma A, Vashishta P, Shimojo F, van Duin AC, Goddard WA, Biswas R, Srivastava D. A divide-and-conquer/cellular-decomposition framework for million-to-billion atom simulations of chemical reactions Computational Materials Science. 38: 642-652. DOI: 10.1016/J.Commatsci.2006.04.012 |
0.41 |
|
2007 |
Nomura K, Kalia RK, Nakano A, Vashishta P, Landa JL. Parallel history matching and associated forecast at the center for interactive smart oilfield technologies The Journal of Supercomputing. 41: 109-117. DOI: 10.1007/S11227-006-0031-2 |
0.306 |
|
2006 |
Branicio PS, Kalia RK, Nakano A, Vashishta P. Shock-induced structural phase transition, plasticity, and brittle cracks in aluminum nitride ceramic. Physical Review Letters. 96: 065502. PMID 16606007 DOI: 10.1103/Physrevlett.96.065502 |
0.301 |
|
2006 |
Vashishta P, Kalia RK, Nakano A. Multimillion atom simulations of dynamics of oxidation of an aluminum nanoparticle and nanoindentation on ceramics. The Journal of Physical Chemistry. B. 110: 3727-33. PMID 16494430 DOI: 10.1021/Jp0556153 |
0.442 |
|
2006 |
Bongiorno A, Först CJ, Kalia RK, Li J, Marschall J, Nakano A, Opeka MM, Talmy IG, Vashishta P, Yip S. A Perspective on Modeling Materials in Extreme Environments: Oxidation of Ultrahigh-Temperature Ceramics Mrs Bulletin. 31: 410-418. DOI: 10.1557/Mrs2006.103 |
0.312 |
|
2006 |
Lee NJ, Kalia RK, Nakano A, Vashishta P. Pressure-induced structural transformations in cadmium selenide nanorods Applied Physics Letters. 89. DOI: 10.1063/1.2338808 |
0.312 |
|
2006 |
Zhang C, Bansal B, Branicio PS, Kalia RK, Nakano A, Sharma A, Vashishta P. Collision-free spatial hash functions for structural analysis of billion-vertex chemical bond networks Computer Physics Communications. 175: 339-347. DOI: 10.1016/J.Cpc.2006.06.001 |
0.317 |
|
2005 |
Lu Z, Nomura K, Sharma A, Wang W, Zhang C, Nakano A, Kalia R, Vashishta P, Bouchaud E, Rountree C. Dynamics of wing cracks and nanoscale damage in glass. Physical Review Letters. 95: 135501. PMID 16197145 DOI: 10.1103/Physrevlett.95.135501 |
0.303 |
|
2005 |
Szlufarska I, Nakano A, Vashishta P. A crossover in the mechanical response of nanocrystalline ceramics. Science (New York, N.Y.). 309: 911-4. PMID 16081730 DOI: 10.1126/Science.1114411 |
0.333 |
|
2005 |
NAKANO A, KALIA RK, VASHISHTA P, OGATA S, SEKIGUCHI S, TANAKA Y, TSURUTA K. Strategic Application of Asia-Pacific GRID for Ultrascale Materials Simulations Journal of the Society of Mechanical Engineers. 108: 815-817. DOI: 10.1299/Jsmemag.108.1043_815 |
0.307 |
|
2005 |
Lidorikis E, Bachlechner ME, Kalia RK, Nakano A, Vashishta P. Coupling atomistic and continuum length scales in heteroepitaxial systems: Multiscale molecular-dynamics/finite-element simulations of strain relaxation in Si Si3N4 nanopixels Physical Review B - Condensed Matter and Materials Physics. 72. DOI: 10.1103/Physrevb.72.115338 |
0.364 |
|
2005 |
Campbell TJ, Aral G, Ogata S, Kalia RK, Nakano A, Vashishta P. Oxidation of aluminum nanoclusters Physical Review B - Condensed Matter and Materials Physics. 71. DOI: 10.1103/Physrevb.71.205413 |
0.337 |
|
2005 |
Szlufarska I, Kalia RK, Nakano A, Vashishta P. Atomistic mechanisms of amorphization during nanoindentation of SiC: A molecular dynamics study Physical Review B - Condensed Matter and Materials Physics. 71. DOI: 10.1103/Physrevb.71.174113 |
0.39 |
|
2005 |
Kikuchi H, Kalia RK, Nakano A, Vashishta P, Branicio PS, Shimojo F. Brittle dynamic fracture of crystalline cubic silicon carbide (3C-SiC) via molecular dynamics simulation Journal of Applied Physics. 98: 103524. DOI: 10.1063/1.2135896 |
0.335 |
|
2005 |
Makeev MA, Kalia RK, Nakano A, Vashishta P, Madhukar A. Effect of geometry on stress relaxation in InAs/GaAs rectangular nanomesas: Multimillion-atom molecular dynamics simulations Journal of Applied Physics. 98. DOI: 10.1063/1.1988970 |
0.349 |
|
2005 |
Szlufarska I, Kalia RK, Nakano A, Vashishta P. Atomistic processes during nanoindentation of amorphous silicon carbide Applied Physics Letters. 86. DOI: 10.1063/1.1849843 |
0.307 |
|
2005 |
Hasnaoui A, Politano O, Salazar J, Aral G, Kalia R, Nakano A, Vashishta P. Molecular dynamics simulations of the nano-scale room-temperature oxidation of aluminum single crystals Surface Science. 579: 47-57. DOI: 10.1016/J.Susc.2005.01.043 |
0.382 |
|
2005 |
Shimojo F, Kalia RK, Nakano A, Vashishta P. Embedded divide-and-conquer algorithm on hierarchical real-space grids: Parallel molecular dynamics simulation based on linear-scaling density functional theory Computer Physics Communications. 167: 151-164. DOI: 10.1016/J.Cpc.2005.01.005 |
0.4 |
|
2004 |
Vemparala S, Kalia RK, Nakano A, Vashishta P. Electric field induced switching of poly(ethylene glycol) terminated self-assembled monolayers: a parallel molecular dynamics simulation. The Journal of Chemical Physics. 121: 5427-33. PMID 15352837 DOI: 10.1063/1.1781120 |
0.305 |
|
2004 |
Vemparala S, Karki BB, Kalia RK, Nakano A, Vashishta P. Large-scale molecular dynamics simulations of alkanethiol self-assembled monolayers. The Journal of Chemical Physics. 121: 4323-30. PMID 15332982 DOI: 10.1063/1.1775779 |
0.358 |
|
2004 |
Shimojo F, Kodiyalam S, Ebbsjö I, Kalia RK, Nakano A, Vashishta P. Atomistic mechanisms for wurtzite-to-rocksalt structural transformation in cadmium selenide under pressure Physical Review B. 70. DOI: 10.1103/Physrevb.70.184111 |
0.36 |
|
2004 |
Rino JP, Ebbsjö I, Branicio PS, Kalia RK, Nakano A, Shimojo F, Vashishta P. Short- and intermediate-range structural correlations in amorphous silicon carbide: A molecular dynamics study Physical Review B. 70. DOI: 10.1103/Physrevb.70.045207 |
0.343 |
|
2004 |
Szlufarska I, Kalia RK, Nakano A, Vashishta P. Nanoindentation-induced amorphization in silicon carbide Applied Physics Letters. 85: 378-380. DOI: 10.1063/1.1774252 |
0.362 |
|
2004 |
Ogata S, Shimojo F, Kalia RK, Nakano A, Vashishta P. Environmental effects of H 2O on fracture initiation in silicon: A hybrid electronic-density-functional/molecular-dynamics study Journal of Applied Physics. 95: 5316-5323. DOI: 10.1063/1.1689004 |
0.357 |
|
2003 |
Su X, Kalia RK, Nakano A, Vashishta P, Madhukar A. InAs/GaAs square nanomesas: Multimillion-atom molecular dynamics simulations on parallel computers Journal of Applied Physics. 94: 6762-6773. DOI: 10.1063/1.1609049 |
0.442 |
|
2003 |
Branicio PS, Rino JP, Shimojo F, Kalia RK, Nakano A, Vashishta P. Molecular dynamics study of structural, mechanical, and vibrational properties of crystalline and amorphous Ga1−xInxAs alloys Journal of Applied Physics. 94: 3840-3848. DOI: 10.1063/1.1601691 |
0.376 |
|
2003 |
Branicio PS, Kalia RK, Nakano A, Rino JP, Shimojo F, Vashishta P. Structural, mechanical, and vibrational properties of Ga1−xInxAs alloys: A molecular dynamics study Applied Physics Letters. 82: 1057-1059. DOI: 10.1063/1.1542681 |
0.374 |
|
2003 |
Walsh P, Omeltchenko A, Kalia RK, Nakano A, Vashishta P, Saini S. Nanoindentation of silicon nitride: A multimillion-atom molecular dynamics study Applied Physics Letters. 82: 118-120. DOI: 10.1063/1.1535263 |
0.368 |
|
2003 |
Kalia RK, Nakano A, Vashishta P, Rountree CL, Van Brutzel L, Ogata S. Multiresolution atomistic simulations of dynamic fracture in nanostructured ceramics and glasses International Journal of Fracture. 121: 71-79. DOI: 10.1023/A:1026216101073 |
0.403 |
|
2003 |
Vashishta P, Kalia RK, Nakano A. Multimillion atom molecular dynamics simulations of nanostructures on parallel computers Journal of Nanoparticle Research. 5: 119-135. DOI: 10.1023/A:1024459800821 |
0.441 |
|
2003 |
Nakano A, Campbell TJ, Kalia RK, Kodiyalam S, Ogata S, Shimojo F, Su X, Vashishta P. Scalable multiresolution algorithms for classical and quantum molecular dynamics simulations of nanosystems Handbook of Numerical Analysis. 10: 639-666. DOI: 10.1016/S1570-8659(03)10011-7 |
0.414 |
|
2002 |
Belkada R, Ogata S, Shimojo F, Nakano A, Vashishta P, Kalia RK. Mechanisms of Stress Corrosion Cracking in Si: A Hybrid Quantum-Mechanical/Molecular-Dynamics Simulation Mrs Proceedings. 750. DOI: 10.1557/Proc-750-Y8.40 |
0.36 |
|
2002 |
Ogata S, Belkada R, Shimojo F, Nakano A. Moisture effects of crack initiation in nanocrystalline silicon: a hybrid density-functional/molecular-dynamics study Mrs Proceedings. 737. DOI: 10.1557/Proc-737-F8.23 |
0.33 |
|
2002 |
Nakano A, Kalia RK, Vashishta P, Campbell TJ, Ogata S, Shimojo F, Saini S. Scalable Atomistic Simulation Algorithms for Materials Research Scientific Programming. 10: 263-270. DOI: 10.1155/2002/203525 |
0.382 |
|
2002 |
Rountree CL, Kalia RK, Lidorikis E, Nakano A, Van Brutzel L, Vashishta P. Atomistic Aspects of Crack Propagation in Brittle Materials: Multimillion Atom Molecular Dynamics Simulations Annual Review of Materials Research. 32: 377-400. DOI: 10.1146/Annurev.Matsci.32.111201.142017 |
0.379 |
|
2002 |
Rino JP, Chatterjee A, Ebbsjö I, Kalia RK, Nakano A, Shimojo F, Vashishta P. Pressure-induced structural transformation in GaAs: A molecular-dynamics study Physical Review B. 65. DOI: 10.1103/Physrevb.65.195206 |
0.329 |
|
2002 |
Ogata S, Shimojo F, Kalia RK, Nakano A, Vashishta P. Hybrid quantum mechanical/molecular dynamics simulation on parallel computers: Density functional theory on real-space multigrids Computer Physics Communications. 149: 30-38. DOI: 10.1016/S0010-4655(02)00612-4 |
0.364 |
|
2001 |
Liu XJ, Arisawa K, Nakano A, Saito H, Takahashi T, Kosaka A. Significance of cadmium concentrations in blood and hair as an indicator of dose 15 years after the reduction of environmental exposure to cadmium. Toxicology Letters. 123: 135-41. PMID 11641041 DOI: 10.1016/S0378-4274(01)00381-2 |
0.386 |
|
2001 |
Lidorikis E, Bachlechner ME, Kalia RK, Nakano A, Vashishta P, Voyiadjis GZ. Coupling length scales for multiscale atomistics-continuum simulations: atomistically induced stress distributions in Si/Si3N4 nanopixels. Physical Review Letters. 87: 086104. PMID 11497965 DOI: 10.1103/Physrevlett.87.086104 |
0.386 |
|
2001 |
Arisawa K, Nakano A, Saito H, Liu XJ, Yokoo M, Soda M, Koba T, Takahashi T, Kinoshita K. Mortality and cancer incidence among a population previously exposed to environmental cadmium. International Archives of Occupational and Environmental Health. 74: 255-62. PMID 11401017 DOI: 10.1007/S004200000225 |
0.386 |
|
2001 |
Kodiyalam S, Kalia RK, Kikuchi H, Nakano A, Shimojo F, Vashishta P. Grain Boundaries in Gallium Arsenide Nanocrystals Under Pressure: A Parallel Molecular-Dynamics Study. Physical Review Letters. 86: 55-58. PMID 11136092 DOI: 10.1103/Physrevlett.86.55 |
0.332 |
|
2001 |
Brutzel LV, Rountree CL, Kalia RK, Nakano A, Vashishta P. Dynamic Fracture Mechanisms in Nanostructured and Amorphous Silica Glasses Million-Atom Molecular Dynamics Simulations Mrs Proceedings. 703. DOI: 10.1557/Proc-703-V3.9 |
0.342 |
|
2001 |
Su X, Kalia RK, Nakano A, Vashishta P, Madhukar A. Critical lateral size for stress domain formation in InAs/GaAs square nanomesas: A multimillion-atom molecular dynamics study Applied Physics Letters. 79: 4577-4579. DOI: 10.1063/1.1428621 |
0.311 |
|
2001 |
Su X, Kalia RK, Nakano A, Vashishta P, Madhukar A. Million-atom molecular dynamics simulation of flat InAs overlayers with self-limiting thickness on GaAs square nanomesas Applied Physics Letters. 78: 3717-3719. DOI: 10.1063/1.1377618 |
0.369 |
|
2001 |
Walsh P, Li W, Kalia RK, Nakano A, Vashishta P, Saini S. Structural transformation, amorphization, and fracture in nanowires: A multimillion-atom molecular dynamics study Applied Physics Letters. 78: 3328-3330. DOI: 10.1063/1.1374237 |
0.351 |
|
2001 |
Vashishta P, Bachlechner M, Nakano A, Campbell TJ, Kalia RK, Kodiyalam S, Ogata S, Shimojo F, Walsh P. Multimillion atom simulation of materials on parallel computers - Nanopixel, interfacial fracture, nanoindentation, and oxidation Applied Surface Science. 182: 258-264. DOI: 10.1016/S0169-4332(01)00442-1 |
0.41 |
|
2001 |
Ogata S, Lidorikis E, Shimojo F, Nakano A, Vashishta P, Kalia RK. Hybrid finite-element/molecular-dynamics/electronic-density-functional approach to materials simulations on parallel computers Computer Physics Communications. 138: 143-154. DOI: 10.1016/S0010-4655(01)00203-X |
0.41 |
|
2000 |
Shimojo F, Ebbsjö I, Kalia RK, Nakano A, Rino JP, Vashishta P. Molecular dynamics simulation of structural transformation in silicon carbide under pressure Physical Review Letters. 84: 3338-3341. PMID 11019084 DOI: 10.1103/Physrevlett.84.3338 |
0.347 |
|
2000 |
Bachlechner ME, Omeltchenko A, Nakano A, Kalia RK, Vashishta P, Ebbsjö I, Madhukar A. Dislocation emission at the Silicon/Silicon nitride interface: A million atom molecular dynamics simulation on parallel computers Physical Review Letters. 84: 322-325. PMID 11015901 DOI: 10.1103/Physrevlett.84.322 |
0.353 |
|
2000 |
Arisawa K, Takahashi T, Nakano A, Liu XJ, Saito H, Takizawa Y, Koba T. [Potential exposure to inorganic mercury in people living near a sewage sludge dumping site: urinary excretion of mercury, subjective symptoms and renal function]. [Nihon KōShū Eisei Zasshi] Japanese Journal of Public Health. 47: 134-44. PMID 10734728 |
0.398 |
|
2000 |
Lidorikis E, Bachlechner ME, Kalia RK, Voyiadjis GZ, Nakano A, Vashishta P. Coupling of Length Scales: Hybrid Molecular Dynamics and Finite Element Approach for Multiscale Nanodevice Simulations Mrs Proceedings. 653. DOI: 10.1557/Proc-653-Z9.3.1 |
0.381 |
|
2000 |
Ogata S, Shimojo F, Nakano A, Vashishta P, Kalia RK. Hybrid Electronic-density-functional/molecular-dynamics Simulation on Parallel Computers: Oxidation of Si Surface Mrs Proceedings. 653. DOI: 10.1557/Proc-653-Z6.5.1 |
0.39 |
|
2000 |
Vashishta P, Bachlechner ME, Campbell T, Kalia RK, Kikuchi H, Kodiyalam S, Nakano A, Ogata S, Shimojo F, Walsh P. Multimillion Atom Simulations of Nanostructured Materials on Parallel Computers Progress of Theoretical Physics Supplement. 138: 175-190. DOI: 10.1143/Ptps.138.175 |
0.403 |
|
2000 |
Nakano A, Bachlechner ME, Branicio P, Campbell TJ, Ebbsjö I, Kalia RK, Madhukar A, Ogata S, Omeltchenko A, Rino JP, Shimojo F, Walsh P, Vashishta P. Large-scale atomistic modeling of nanoelectronic structures Ieee Transactions On Electron Devices. 47: 1804-1810. DOI: 10.1109/16.870551 |
0.406 |
|
2000 |
Ebbsjö I, Kalia RK, Nakano A, Rino JP, Vashishta P. Topology of amorphous gallium arsenide on intermediate length scales: A molecular dynamics study Journal of Applied Physics. 87: 7708-7711. DOI: 10.1063/1.373445 |
0.375 |
|
2000 |
Walsh P, Kalia RK, Nakano A, Vashishta P, Saini S. Amorphization and anisotropic fracture dynamics during nanoindentation of silicon nitride: A multimillion atom molecular dynamics study Applied Physics Letters. 77: 4332-4334. DOI: 10.1063/1.1328371 |
0.361 |
|
2000 |
Ogata S, Iyetomi H, Tsuruta K, Shimojo F, Nakano A, Kalia RK, Vashishta P. Role of atomic charge transfer on sintering of TiO2 nanoparticles: Variable-charge molecular dynamics Journal of Applied Physics. 88: 6011-6015. DOI: 10.1063/1.1321785 |
0.324 |
|
2000 |
Chatterjee A, Kalia RK, Nakano A, Omeltchenko A, Tsuruta K, Vashishta P, Loong C, Winterer M, Klein S. Sintering, structure, and mechanical properties of nanophase SiC: A molecular-dynamics and neutron scattering study Applied Physics Letters. 77: 1132-1134. DOI: 10.1063/1.1289661 |
0.363 |
|
2000 |
Shimojo F, Campbell TJ, Kalia RK, Nakano A, Vashishta P, Ogata S, Tsuruta K. Scalable molecular-dynamics algorithm suite for materials simulations: Design-space diagram on 1024 Cray T3E processors Future Generation Computer Systems. 17: 279-291. DOI: 10.1016/S0167-739X(00)00087-X |
0.409 |
|
2000 |
Kalia RK, Campbell TJ, Chatterjee A, Nakano A, Vashishta P, Ogata S. Multiresolution algorithms for massively parallel molecular dynamics simulations of nanostructured materials Computer Physics Communications. 128: 245-259. DOI: 10.1016/S0010-4655(99)00539-1 |
0.396 |
|
2000 |
Omeltchenko A, Campbell TJ, Kalia RK, Liu X, Nakano A, Vashishta P. Scalable I/O of large-scale molecular dynamics simulations: A data-compression algorithm Computer Physics Communications. 131: 78-85. DOI: 10.1016/S0010-4655(00)00083-7 |
0.57 |
|
1999 |
Bachlechner ME, Omeltchenko A, Walsh P, Nakano A, Kalia RK, Vashishta P, Ebbsjö I, Madhukar A. Multi-Million Atom Molecular-Dynamics Simulations of Stresses in Si(111)/Si3N4 Nanopixels Mrs Proceedings. 592. DOI: 10.1557/Proc-592-369 |
0.345 |
|
1999 |
Su X, Kalia RK, Madhukar A, Nakano A, Vashishta P. Multimillion-Atom Simulations of Atomic-Level Surface Stresses and Pressure Distribution on InAs/GaAs Mesas Mrs Proceedings. 584. DOI: 10.1557/Proc-584-269 |
0.379 |
|
1999 |
Ogata S, Iyetomi H, Tsuruta K, Shimojo F, Kalia RK, Nakano A, Vashishta P. Intercluster Interaction of TiO2 Nanoclusters Using Variable-Charge Interatomic Potentials Mrs Proceedings. 581. DOI: 10.1557/Proc-581-667 |
0.372 |
|
1999 |
Nakano A, Kalia RK, Vashishta P. Scalable molecular-dynamics, visualization, and data-management algorithms for materials simulations Computing in Science and Engineering. 1: 39-47. DOI: 10.1109/5992.790586 |
0.419 |
|
1999 |
Campbell T, Kalia RK, Nakano A, Vashishta P, Ogata S, Rodgers S. Dynamics of Oxidation of Aluminum Nanoclusters using Variable Charge Molecular-Dynamics Simulations on Parallel Computers Physical Review Letters. 82: 4866-4869. DOI: 10.1103/Physrevlett.82.4866 |
0.37 |
|
1999 |
Campbell T, Kalia RK, Nakano A, Shimojo F, Tsuruta K, Vashishta P, Ogata S. Structural Correlations and Mechanical Behavior in Nanophase Silica Glasses Physical Review Letters. 82: 4018-4021. DOI: 10.1103/Physrevlett.82.4018 |
0.34 |
|
1999 |
Ogata S, Iyetomi H, Tsuruta K, Shimojo F, Kalia RK, Nakano A, Vashishta P. Variable-charge interatomic potentials for molecular-dynamics simulations of TiO2 Journal of Applied Physics. 86: 3036-3041. DOI: 10.1063/1.371165 |
0.417 |
|
1999 |
Bachlechner ME, Kalia RK, Nakano A, Omeltchenko A, Vashishta P, Ebbsjö I, Madhukar A, Zhao G. Structural correlations at Si/Si3N4 interface and atomic stresses in Si/Si3N4 nanopixel-10 million-atom molecular dynamics simulation on parallel computers Journal of the European Ceramic Society. 19: 2265-2272. DOI: 10.1016/S0955-2219(99)00119-3 |
0.368 |
|
1999 |
Chatterjee A, Campbell T, Kalia RK, Nakano A, Omeltchenko A, Tsuruta K, Vashishta P, Ogata S. Parallel Molecular Dynamics Simulations of High Temperature Ceramics Journal of the European Ceramic Society. 19: 2257-2264. DOI: 10.1016/S0955-2219(99)00108-9 |
0.379 |
|
1998 |
Walsh P, Omeltchenko A, Kikuchi H, Kalia RK, Nakano A, Vashishta P. Molecular Dynamics Simulations of Nanoindentation of Silicon Nitride Mrs Proceedings. 539. DOI: 10.1557/Proc-539-119 |
0.373 |
|
1998 |
Kodiyalam S, Chatterjee A, Ebbsjö I, Kalia RK, Kikuchi H, Nakano A, Rino JP, Vashishta P. Pressure Induced Structural Transformations in Nanocluster Assembled Gallium Arsenide Mrs Proceedings. 536. DOI: 10.1557/Proc-536-545 |
0.353 |
|
1998 |
Nakano A, Kalia RK, Vashishta P. Multilevel algorithms for large-scope Molecular Dynamics simulations of nanostructures on parallel computers Vlsi Design. 8: 123-128. DOI: 10.1155/1998/93670 |
0.399 |
|
1998 |
Tsuruta K, Nakano A, Kalia RK, Vashishta P. Dynamics of consolidation and crack growth in nanocluster-assembled amorphous silicon nitride Journal of the American Ceramic Society. 81: 433-436. DOI: 10.1111/J.1151-2916.1998.Tb02354.X |
0.36 |
|
1998 |
Nakano A, Bachlechner ME, Campbell TJ, Kalia RK, Omeltchenko A, Tsuruta K, Vashishta P, Ogata S, Ebbsjo I, Madhukar A. N-body problems: Atomistic simulation of nanostructured materials Ieee Computational Science and Engineering. 5: 68-78. DOI: 10.1109/Mcse.1998.7102082 |
0.364 |
|
1998 |
Bachlechner ME, Omeltchenko A, Nakano A, Kalia RK, Vashishta P, Ebbsjö I, Madhukar A, Messina P. Multimillion-atom molecular dynamics simulation of atomic level stresses in Si(111)/Si3N4(0001) nanopixels Applied Physics Letters. 72: 1969-1971. DOI: 10.1063/1.121237 |
0.351 |
|
1997 |
Ogata S, Campbell TJ, Tsuruta K, Nakano A, Kalia RK, Vashishta P, Loong C. Oxidation Dynamics of Nanophase Aluminum Clusters: A Molecular Dynamics Study Mrs Proceedings. 481. DOI: 10.1557/Proc-481-625 |
0.342 |
|
1997 |
Kalia RK, Nakano A, Tsuruta K, Vashishta P. Morphology of pores and interfaces and mechanical behavior of nanocluster-assembled silicon nitride ceramic Physical Review Letters. 78: 689-692. DOI: 10.1103/Physrevlett.78.689 |
0.39 |
|
1997 |
Kalia RK, Nakano A, Omeltchenko A, Tsuruta K, Vashishta P. Role of ultrafine microstructures in dynamic fracture in nanophase silicon nitride Physical Review Letters. 78: 2144-2147. DOI: 10.1103/Physrevlett.78.2144 |
0.353 |
|
1997 |
Nakano A. Fuzzy clustering approach to hierarchical molecular dynamics simulation of multiscale materials phenomena Computer Physics Communications. 105: 139-150. DOI: 10.1016/S0010-4655(97)00044-1 |
0.355 |
|
1997 |
Nakano A. Parallel multilevel preconditioned conjugate-gradient approach to variable-charge molecular dynamics Computer Physics Communications. 104: 59-69. DOI: 10.1016/S0010-4655(97)00041-6 |
0.385 |
|
1996 |
Tsuruta K, Omeltchenko A, Nakano A, Kalia RK, Vashishta P. Structure, Mechanical Properties, and Dynamic Fracture in Nanophase Silicon Nitride via Parallel Molecular Dynamics Mrs Proceedings. 457. DOI: 10.1557/Proc-457-205 |
0.373 |
|
1996 |
Nakano A, Kalia RK, Omeltchenko A, Tsuruta K, Vashishta P. Fracture of Nanophase Ceramics: A Molecular-Dynamics Study Mrs Proceedings. 457. DOI: 10.1557/Proc-457-187 |
0.385 |
|
1996 |
Campbell TJ, Nakano A, Omeltchenko A, Kalia RK, Vashishta P. Fracture in Silicon Nitride and Alumina thin Films: a Molecular Dynamics Study Mrs Proceedings. 446. DOI: 10.1557/Proc-446-163 |
0.361 |
|
1996 |
Omeltchenko A, Nakano A, Kalia RK, Vashishta P. Structure, mechanical properties, and thermal transport in microporous silicon nitride - Molecular-dynamics simulations on a parallel machine Europhysics Letters. 33: 667-672. DOI: 10.1209/Epl/I1996-00396-3 |
0.381 |
|
1996 |
Vashishta P, Nakano A, Kalia RK, Ebbsjö I. Crack propagation and fracture in ceramic films - Million atom molecular dynamics simulations on parallel computers Materials Science and Engineering B. 37: 56-71. DOI: 10.1016/0921-5107(95)01458-6 |
0.35 |
|
1996 |
Vashishta P, Kalia RK, Nakano A, Jin W. Silica under very large positive and negative pressures: Molecular dynamics simulations on parallel computers International Journal of Thermophysics. 17: 169-178. DOI: 10.1007/Bf01448219 |
0.384 |
|
1995 |
Nakano A, Kalia RK, Vashishta P. Dynamics and Morphology of Cracks in Silicon Nitride Films: A Molecular Dynamics Study on Parallel Computers Mrs Proceedings. 408. DOI: 10.1557/Proc-408-205 |
0.307 |
|
1995 |
Omeltchenko A, Nakano A, Kalia RK, Vashishta P. Structure, Mechanical Properties, and Thermal Transport in Microporous Silicon Nitride Via Parallel Molecular Dynamics Mrs Proceedings. 408. DOI: 10.1557/Proc-408-175 |
0.355 |
|
1995 |
Nakano A, Kalia RK, Vashishta P. Dynamics and morphology of brittle cracks: A molecular-dynamics study of silicon nitride Physical Review Letters. 75: 3138-3141. DOI: 10.1103/Physrevlett.75.3138 |
0.313 |
|
1995 |
Vashishta P, Nakano A, Kalia RK, Ebbsjö I. Molecular dynamics simulations of covalent amorphous insulators on parallel computers Journal of Non-Crystalline Solids. 182: 59-67. DOI: 10.1016/0022-3093(94)00576-1 |
0.406 |
|
1994 |
VASHISHTA P, KALIA RK, NAKANO A, YU J. MOLECULAR DYNAMICS AND QUANTUM MOLECULAR DYNAMICS SIMULATIONS ON PARALLEL ARCHITECTURES International Journal of Modern Physics C. 5: 281-283. DOI: 10.1142/S0129183194000325 |
0.396 |
|
1994 |
Nakano A, Kalia RK, Vashishta P. Growth of pore interfaces and roughness of fracture surfaces in porous silica: Million particle molecular-dynamics simulations Physical Review Letters. 73: 2336-2339. DOI: 10.1103/Physrevlett.73.2336 |
0.312 |
|
1994 |
Nakano A, Bi L, Kalia RK, Vashishta P. Molecular-dynamics study of the structural correlation of porous silica with use of a parallel computer Physical Review B. 49: 9441-9452. DOI: 10.1103/Physrevb.49.9441 |
0.352 |
|
1994 |
Nakano A, Kalia RK, Vashishta P. Nonlinear electron dynamics in a resonant tunneling diode: Langevin-quantum-dynamics simulations on a massively parallel computer Applied Physics Letters. 64: 2569-2571. DOI: 10.1063/1.111550 |
0.364 |
|
1994 |
Vashishta P, Kalia RK, de Leeuw SW, Greenwell DL, Nakano A, Jin W, Yu J, Bi L, Li W. Computer simulation of materials using parallel architectures Computational Materials Science. 2: 180-208. DOI: 10.1016/0927-0256(94)90063-9 |
0.345 |
|
1994 |
Nakano A, Kalia RK, Vashishta P. First sharp diffraction peak and intermediate-range order in amorphous silica: finite-size effects in molecular dynamics simulations Journal of Non-Crystalline Solids. 171: 157-163. DOI: 10.1016/0022-3093(94)90351-4 |
0.381 |
|
1994 |
Nakano A, Kalia RK, Vashishta P. Multiresolution molecular dynamics algorithm for realistic materials modeling on parallel computers Computer Physics Communications. 83: 197-214. DOI: 10.1016/0010-4655(94)90048-5 |
0.337 |
|
1994 |
Nakano A, Vashishta P, Kalia RK. Massively parallel algorithms for computational nanoelectronics based on quantum molecular dynamics Computer Physics Communications. 83: 181-196. DOI: 10.1016/0010-4655(94)90047-7 |
0.356 |
|
1993 |
Nakano A, Bi L, Kalia RK, Vashishta P. Structural correlations in porous silica: Molecular dynamics simulation on a parallel computer Physical Review Letters. 71: 85-88. DOI: 10.1103/Physrevlett.71.85 |
0.365 |
|
1993 |
Rino JP, Ebbsjö I, Kalia RK, Nakano A, Vashishta P. Structure of rings in vitreous SiO2 Physical Review B. 47: 3053-3062. DOI: 10.1103/Physrevb.47.3053 |
0.315 |
|
1993 |
Nakano A, Vashishta P, Kalia RK. Parallel multiple-time-step molecular dynamics with three-body interaction Computer Physics Communications. 77: 303-312. DOI: 10.1016/0010-4655(93)90178-F |
0.33 |
|
1993 |
Kalia RK, de Leeuw S, Nakano A, Vashishta P. Molecular-dynamics simulations of Coulombic systems on distributed-memory MIMD machines Computer Physics Communications. 74: 316-326. DOI: 10.1016/0010-4655(93)90015-5 |
0.33 |
|
1993 |
Kalia RK, Jin W, leeuw SWD, Nakano A, Vashishta P. Atomistic simulations on parallel architectures International Journal of Quantum Chemistry. 48: 781-792. DOI: 10.1002/Qua.560480870 |
0.411 |
|
1992 |
Nakano A, Kalia RK, Vashishta P. Molecular Dynamics Simulation of Aerogel Silica on Parallel Computers Mrs Proceedings. 293. DOI: 10.1557/Proc-293-237 |
0.385 |
|
1992 |
Nakano A, Kalia RK, Vashishta P. Quantum Dynamical Simulation of Many Electron-Phonon Coupled Systems on Parallel Computers Mrs Proceedings. 291. DOI: 10.1557/Proc-291-73 |
0.346 |
|
1992 |
Li W, Kalia RK, Leeuw SD, Nakano A, Greenwell D, Vashishta P. Parallel Algorithms for Molecular-Dynamics Simulations of Coulombic Systems Mrs Proceedings. 291. DOI: 10.1557/Proc-291-267 |
0.372 |
|
1991 |
Nakano A, Vashishta P, Kalia RK. Electron transport in disordered systems: A nonequilibrium quantum-molecular-dynamics approach Physical Review B. 43: 10928-10932. DOI: 10.1103/Physrevb.43.10928 |
0.322 |
|
1990 |
Ichimaru S, Ogata S, Nakano A. Rates of nuclear fusion in metal hydrides Journal of the Physical Society of Japan. 59: 3904-3915. DOI: 10.1143/Jpsj.59.3904 |
0.31 |
|
1990 |
Ichimaru S, Nakano A, Ogata S, Tanaka S, Iyetomi H, Tajima T. Statistical-Mechanical Theory of Cold Nuclear Fusion in Metal Hydrides Journal of the Physical Society of Japan. 59: 1333-1340. DOI: 10.1143/Jpsj.59.1333 |
0.311 |
|
1989 |
Nakano A, Ichimaru S. Dynamic correlations in electron liquids. II. Single-particle Greens functions Physical Review B. 39: 4938-4944. DOI: 10.1103/Physrevb.39.4938 |
0.319 |
|
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