☰

G J. Martyna - Publications

Affiliations: 
Indiana University, Bloomington, Bloomington, IN, United States 
Area:
Physical Chemistry, Biochemistry
Tree Info Similar researchers PubMed Report error

62/170 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2018 Cipcigan F, Sokhan V, Martyna G, Crain J. Structure and hydrogen bonding at the limits of liquid water stability. Scientific Reports. 8: 1718. PMID 29379039 DOI: 10.1038/S41598-017-18975-7  0.307
2016 Cipcigan FS, Sokhan VP, Crain J, Martyna GJ. Electronic coarse graining enhances the predictive power of molecular simulation allowing challenges in water physics to be addressed Journal of Computational Physics. 326: 222-233. DOI: 10.1016/J.Jcp.2016.08.030  0.365
2015 Sokhan VP, Jones A, Cipcigan FS, Crain J, Martyna GJ. Molecular-Scale Remnants of the Liquid-Gas Transition in Supercritical Polar Fluids. Physical Review Letters. 115: 117801. PMID 26406855 DOI: 10.1103/Physrevlett.115.117801  0.3
2015 Cipcigan FS, Sokhan VP, Jones AP, Crain J, Martyna GJ. Hydrogen bonding and molecular orientation at the liquid-vapour interface of water. Physical Chemistry Chemical Physics : Pccp. 17: 8660-9. PMID 25715668 DOI: 10.1039/C4Cp05506C  0.306
2013 Jones A, Cipcigan F, Sokhan VP, Crain J, Martyna GJ. Electronically coarse-grained model for water. Physical Review Letters. 110: 227801. PMID 23767748 DOI: 10.1103/Physrevlett.110.227801  0.343
2013 Jones AP, Crain J, Sokhan VP, Whitfield TW, Martyna GJ. Quantum Drude oscillator model of atoms and molecules: Many-body polarization and dispersion interactions for atomistic simulation Physical Review B - Condensed Matter and Materials Physics. 87. DOI: 10.1103/Physrevb.87.144103  0.389
2011 Nistor RA, Martyna GJ, Newns DM, Tsuei CC, Müser MH. Ab initio theory of the pseudogap in cuprate superconductors driven by C4 symmetry breaking Physical Review B - Condensed Matter and Materials Physics. 83. DOI: 10.1103/Physrevb.83.144503  0.352
2010 Luan B, Afzali A, Harrer S, Peng H, Waggoner P, Polonsky S, Stolovitzky G, Martyna G. Tribological effects on DNA translocation in a nanochannel coated with a self-assembled monolayer. The Journal of Physical Chemistry. B. 114: 17172-6. PMID 21128651 DOI: 10.1021/Jp108865Q  0.301
2010 Luan B, Peng H, Polonsky S, Rossnagel S, Stolovitzky G, Martyna G. Base-by-base ratcheting of single stranded DNA through a solid-state nanopore. Physical Review Letters. 104: 238103. PMID 20867275 DOI: 10.1103/Physrevlett.104.238103  0.334
2010 Yu TQ, Alejandre J, López-Rendón R, Martyna GJ, Tuckerman ME. Measure-preserving integrators for molecular dynamics in the isothermal-isobaric ensemble derived from the Liouville operator Chemical Physics. 370: 294-305. DOI: 10.1016/J.Chemphys.2010.02.014  0.321
2009 Shakhvorostov D, Nistor RA, Krusin-Elbaum L, Martyna GJ, Newns DM, Elmegreen BG, Liu XH, Hughes ZE, Paul S, Cabral C, Raoux S, Shrekenhamer DB, Basov DN, Song Y, Müser MH. Evidence for electronic gap-driven metal-semiconductor transition in phase-change materials. Proceedings of the National Academy of Sciences of the United States of America. 106: 10907-11. PMID 19549858 DOI: 10.1073/Pnas.0812942106  0.301
2009 Jones A, Thompson A, Crain J, Müser MH, Martyna GJ. Norm-conserving diffusion Monte Carlo method and diagrammatic expansion of interacting drude oscillators: Application to solid xenon Physical Review B - Condensed Matter and Materials Physics. 79. DOI: 10.1103/Physrevb.79.144119  0.35
2008 Troitzsch RZ, Tulip PR, Crain J, Martyna GJ. A simplified model of local structure in aqueous proline amino acid revealed by first-principles molecular dynamics simulations. Biophysical Journal. 95: 5014-20. PMID 18790850 DOI: 10.1529/Biophysj.108.134916  0.339
2008 Troitzsch RZ, Vass H, Hossack WJ, Martyna GJ, Crain J. Molecular mechanisms of cryoprotection in aqueous proline: light scattering and molecular dynamics simulations. The Journal of Physical Chemistry. B. 112: 4290-7. PMID 18341318 DOI: 10.1021/Jp076713M  0.323
2008 Bohm E, Bhatele A, Kalé LV, Tuckerman ME, Kumar S, Gunnels JA, Martyna GJ. Fine-grained parallelization of the Car-Parrinello ab initio molecular dynamics method on the IBM Blue Gene/L supercomputer Ibm Journal of Research and Development. 52: 159-176. DOI: 10.1147/Rd.521.0159  0.363
2007 Fang B, Martyna GJ, Deng Y. A fine grained parallel smooth particle mesh Ewald algorithm for biophysical simulation studies: Application to the 6-D torus QCDOC supercomputer Computer Physics Communications. 177: 362-377. DOI: 10.1016/J.Cpc.2007.01.011  0.341
2007 Han G, Deng Y, Glimm J, Martyna G. Error and timing analysis of multiple time-step integration methods for molecular dynamics Computer Physics Communications. 176: 271-291. DOI: 10.1016/J.Cpc.2006.10.005  0.352
2006 Allison SK, Bates SP, Crain J, Martyna GJ. Solution structure of the aqueous model peptide N-methylacetamide. The Journal of Physical Chemistry. B. 110: 21319-26. PMID 17048961 DOI: 10.1021/Jp064154Y  0.3
2006 Mantz YA, Gerard H, Iftimie R, Martyna GJ. Ab initio and empirical model MD simulation studies of solvent effects on the properties of N-methylacetamide along a cis-trans isomerization pathway. The Journal of Physical Chemistry. B. 110: 13523-38. PMID 16821879 DOI: 10.1021/Jp060999Y  0.314
2006 Whitfield TW, Crain J, Martyna GJ. Structural properties of liquid N-methylacetamide via ab initio, path integral, and classical molecular dynamics. The Journal of Chemical Physics. 124: 94503. PMID 16526863 DOI: 10.1063/1.2150432  0.361
2006 Tuckerman ME, Alejandre J, López-Rendón R, Jochim AL, Martyna GJ. A Liouville-operator derived measure-preserving integrator for molecular dynamics simulations in the isothermal-isobaric ensemble Journal of Physics a: Mathematical and General. 39: 5629-5651. DOI: 10.1088/0305-4470/39/19/S18  0.351
2006 Abrams JB, Tuckerman ME, Martyna GJ. Equilibrium statistical mechanics, non-hamiltonian molecular dynamics, and novel applications from resonance-free timesteps to adiabatic free energy dynamics Lecture Notes in Physics. 703: 139-192. DOI: 10.1007/3-540-35273-2_5  0.312
2005 Lee HS, Tuckerman ME, Martyna GJ. Efficient evaluation of nonlocal pseudopotentials via Euler exponential spline interpolation. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 6: 1827-35. PMID 16144012 DOI: 10.1002/Cphc.200500123  0.36
2004 Mináry P, Morrone JA, Yarne DA, Tuckerman ME, Martyna GJ. Long range interactions on wires: a reciprocal space based formalism. The Journal of Chemical Physics. 121: 11949-56. PMID 15634157 DOI: 10.1063/1.1806403  0.371
2004 Minary P, Tuckerman ME, Martyna GJ. Long time molecular dynamics for enhanced conformational sampling in biomolecular systems Physical Review Letters. 93: 150201-1-150201-4. PMID 15524853 DOI: 10.1103/Physrevlett.93.150201  0.346
2004 Vadali RV, Shi Y, Kumar S, Kale LV, Tuckerman ME, Martyna GJ. Scalable fine-grained parallelization of plane-wave-based ab initio molecular dynamics for large supercomputers. Journal of Computational Chemistry. 25: 2006-22. PMID 15473008 DOI: 10.1002/jcc.20113  0.302
2004 Newns DM, Donath WE, Martyna GJ, Schabes ME, Lengsfield BH. Novel efficient techniques for computer simulation of magnetic recording Ibm Journal of Research and Development. 48: 173-182. DOI: 10.1147/Rd.482.0173  0.312
2003 Minary P, Martyna GJ, Tuckerman ME. Algorithms and novel applications based on the isokinetic ensemble. II. Ab initio molecular dynamics Journal of Chemical Physics. 118: 2527-2538. DOI: 10.1063/1.1534583  0.383
2003 Minary P, Martyna GJ, Tuckerman ME. Algorithms and novel applications based on the isokinetic ensemble. I. Biophysical and path integral molecular dynamics Journal of Chemical Physics. 118: 2510-2526. DOI: 10.1063/1.1534582  0.368
2002 Miller TF, Eleftheriou M, Pattnaik P, Ndirango A, Newns D, Martyna GJ. Symplectic quaternion scheme for biophysical molecular dynamics Journal of Chemical Physics. 116: 8649-8659. DOI: 10.1063/1.1473654  0.379
2002 Mináry P, Tuckerman ME, Pihakari KA, Martyna GJ. A new reciprocal space based treatment of long range interactions on surfaces Journal of Chemical Physics. 116: 5351-5362. DOI: 10.1063/1.1453397  0.668
2001 Yarne DA, Tuckerman ME, Martyna GJ. A dual length scale method for plane-wave-based, simulation studies of chemical systems modeled using mixed ab initio/empirical force field descriptions Journal of Chemical Physics. 115: 3531-3539. DOI: 10.1063/1.1383795  0.368
2001 Tuckerman ME, Liu Y, Ciccotti G, Martyna GJ. Non-Hamiltonian molecular dynamics: Generalizing Hamiltonian phase space principles to non-Hamiltonian systems Journal of Chemical Physics. 115: 1678-1702. DOI: 10.1063/1.1378321  0.342
2001 Ciccotti G, Martyna GJ, Melchionna S, Tuckerman ME. Constrained isothermal-isobaric molecular dynamics with full atomic virial Journal of Physical Chemistry B. 105: 6710-6715. DOI: 10.1021/Jp010601S  0.31
2000 Balog E, Hughes AL, Martyna GJ. Constant pressure path integral molecular dynamics studies of quantum effects in the liquid state properties of n-alkanes Journal of Chemical Physics. 112: 870-880. DOI: 10.1063/1.480614  0.372
2000 Tuckerman ME, Martyna GJ. Understanding Modern Molecular Dynamics: Techniques and Applications Journal of Physical Chemistry B. 104: 159-178. DOI: 10.1021/Jp992433Y  0.376
2000 Tuckerman ME, Yarne DA, Samuelson SO, Hughes AL, Martyna GJ. Exploiting multiple levels of parallelism in molecular dynamics based calculations via modern techniques and software paradigms on distributed memory computers Computer Physics Communications. 128: 333-376. DOI: 10.1016/S0010-4655(00)00077-1  0.347
2000 Mundy CJ, Balasubramanian S, Bagchi K, Tuckerman ME, Martyna GJ, Klein ML. Nonequilibrium molecular dynamics Reviews in Computational Chemistry. 14: 291-397. DOI: 10.1002/9780470125915.Ch5  0.307
1999 Diraison M, Martyna GJ, Tuckerman ME. Simulation studies of liquid ammonia by classical ab initio, classical, and path-integral molecular dynamics Journal of Chemical Physics. 111: 1096-1103. DOI: 10.1063/1.479194  0.381
1999 Tuckerman ME, Martyna GJ. Comment on “Simple reversible molecular dynamics algorithms for Nosé–Hoover chain dynamics” [J. Chem. Phys. 107, 9514 (1997)] Journal of Chemical Physics. 110: 3623-3625. DOI: 10.1063/1.478231  0.333
1999 Martyna GJ, Hughes A, Tuckerman ME. Molecular dynamics algorithms for path integrals at constant pressure Journal of Chemical Physics. 110: 3275-3290. DOI: 10.1063/1.478193  0.356
1999 Martyna GJ, Tuckerman ME. A reciprocal space based method for treating long range interactions in ab initio and force-field-based calculations in clusters Journal of Chemical Physics. 110: 2810-2821. DOI: 10.1063/1.477923  0.34
1999 Marx D, Tuckerman ME, Martyna GJ. Quantum dynamics via adiabatic ab initio centroid molecular dynamics Computer Physics Communications. 118: 166-184. DOI: 10.1016/S0010-4655(99)00208-8  0.388
1998 Bandyopadhyay S, Klein ML, Martyna GJ, Tarek M. Molecular dynamics studies of the hexagonal mesophase of sodium dodecylsulphate in aqueous solution Molecular Physics. 95: 377-384. DOI: 10.1080/00268979809483170  0.358
1998 Procacci P, Marchi M, Martyna GJ. Electrostatic calculations and multiple time scales in molecular dynamics simulation of flexible molecular systems Journal of Chemical Physics. 108: 8799-8803. DOI: 10.1063/1.476326  0.335
1997 Samuelson S, Tobias DJ, Martyna GJ. Modern computational methodology applied to the simulation of blocked trialanine peptide in vacuo, water clusters, and bulk water Journal of Physical Chemistry B. 101: 7592-7603. DOI: 10.1021/Jp9704269  0.328
1996 Martyna GJ, Tuckerman ME, Tobias DJ, Klein ML. Explicit reversible integrators for extended systems dynamics Molecular Physics. 87: 1117-1157. DOI: 10.1080/00268979600100761  0.341
1994 Martyna GJ, Tobias DJ, Klein ML. Constant pressure molecular dynamics algorithms The Journal of Chemical Physics. 101: 4177-4189. DOI: 10.1063/1.467468  0.321
1994 Deng Z, Martyna GJ, Klein ML. Quantum simulation studies of metal-ammonia solutions The Journal of Chemical Physics. 100: 7590-7601. DOI: 10.1063/1.466852  0.304
1994 Deng Z, Klein ML, Martyna GJ. Electronic states and the metal-insulator transition in caesium-ammonia solutions Journal of the Chemical Society, Faraday Transactions. 90: 2009-2013. DOI: 10.1039/Ft9949002009  0.302
1993 Tuckerman M, Berne BJ, Martyna GJ. Reply to Comment on: Reversible multiple time scale molecular dynamics Journal of Chemical Physics. 99: 2278-2279. DOI: 10.1063/1.465242  0.318
1993 Tuckerman ME, Berne BJ, Martyna GJ, Klein ML. Efficient molecular dynamics and hybrid Monte Carlo algorithms for path integrals The Journal of Chemical Physics. 99: 2796-2808. DOI: 10.1063/1.465188  0.364
1993 Martyna GJ, Deng Z, Klein ML. Quantum simulation studies of singlet and triplet bipolarons in liquid ammonia The Journal of Chemical Physics. 98: 555-563. DOI: 10.1063/1.464650  0.329
1993 Tobias DJ, Martyna GJ, Klein ML. Molecular dynamics simulations of a protein in the canonical ensemble Journal of Physical Chemistry. 97: 12959-12966. DOI: 10.1021/J100151A052  0.33
1992 Deng Z, Martyna GJ, Klein ML. Structure and dynamics of bipolarons in liquid ammonia. Physical Review Letters. 68: 2496-2499. PMID 10045412 DOI: 10.1103/Physrevlett.68.2496  0.317
1992 Martyna GJ, Klein ML, Tuckerman M. Nosé-Hoover chains: The canonical ensemble via continuous dynamics The Journal of Chemical Physics. 97: 2635-2643. DOI: 10.1063/1.463940  0.328
1992 Tuckerman M, Berne BJ, Martyna GJ. Reversible multiple time scale molecular dynamics The Journal of Chemical Physics. 97: 1990-2001. DOI: 10.1063/1.463137  0.362
1992 Martyna GJ, Klein ML. The electronic states of lithium atoms in ammonia clusters and solution The Journal of Chemical Physics. 96: 7662-7671. DOI: 10.1063/1.462367  0.304
1991 Martyna G, Cheng C, Klein ML. Electronic states and dynamical behavior of LiXen and CsXen clusters The Journal of Chemical Physics. 95: 1318-1336. DOI: 10.1063/1.461115  0.32
1991 Tuckerman ME, Berne BJ, Martyna GJ. Molecular dynamics algorithm for multiple time scales: Systems with long range forces The Journal of Chemical Physics. 94: 6811-6815. DOI: 10.1063/1.460259  0.351
1990 Tuckerman ME, Martyna GJ, Berne BJ. Molecular dynamics algorithm for condensed systems with multiple time scales The Journal of Chemical Physics. 93: 1287-1291. DOI: 10.1063/1.459140  0.345
1988 Wallqvist A, Martyna G, Berne BJ. Behavior of the hydrated electron at different temperatures: structure and absorption spectrum The Journal of Physical Chemistry. 92: 1721-1730. DOI: 10.1021/J100318A006  0.322
Low-probability matches (unlikely to be authored by this person)
1993 Scharf D, Martyna GJ, Klein ML. Path-integral Monte Carlo study of a lithium impurity in para-hydrogen: Clusters and the bulk liquid The Journal of Chemical Physics. 99: 8997-9012. DOI: 10.1063/1.465568  0.298
2014 Newns DM, Martyna GJ, Elmegreen BG, Copel M, Kuroda MA, Solomon PM, Shaw TM, Schrott AG, Liu XH, Trolier-McKinstry S. The PiezoElectronic Switch: A Path to High Speed, Low Energy Electronics Advances in Science and Technology. 90: 93-102. DOI: 10.4028/Www.Scientific.Net/Ast.90.93  0.298
2010 Ryadnov MG, Cerasoli E, Martyna GJ, Crain J. Translational biophysics: the physical sciences in molecular medicine. Future Medicinal Chemistry. 2: 1633-9. PMID 21428835 DOI: 10.4155/Fmc.10.256  0.298
2004 Newns D, Donath W, Martyna G, Schabes M, Lengsfield B. Efficient techniques for the computer simulation of magnetic recording in complex layered materials Journal of Applied Physics. 95: 3175-3201. DOI: 10.1063/1.1642288  0.297
1992 Space B, Coker DF, Liu ZH, Berne BJ, Martyna G. Density dependence of excess electronic ground-state energies in simple atomic fluids The Journal of Chemical Physics. 97: 2002-2021. DOI: 10.1063/1.463138  0.297
1995 Martyna GJ, Tuckerman ME. Symplectic reversible integrators: Predictor-corrector methods The Journal of Chemical Physics. 102: 8071-8077. DOI: 10.1063/1.469006  0.294
2004 Mantz YA, Gerard H, Iftimie R, Martyna GJ. Isomerization of a peptidic fragment studied theoretically in vacuum and in explicit water solvent at finite temperature. Journal of the American Chemical Society. 126: 4080-1. PMID 15053577 DOI: 10.1021/Ja030512O  0.292
2017 Newns DM, Kuroda MA, Cipcigan FS, Crain J, Martyna GJ. High-response piezoelectricity modeled quantitatively near a phase boundary Applied Physics Letters. 110: 22904. DOI: 10.1063/1.4973754  0.292
1989 Martyna GJ, Berne BJ. Structure and energetics of Xe−n : Many‐body polarization effects The Journal of Chemical Physics. 90: 3744-3755. DOI: 10.1063/1.455833  0.291
2010 Harrer S, Ahmed S, Afzali-Ardakani A, Luan B, Waggoner PS, Shao X, Peng H, Goldfarb DL, Martyna GJ, Rossnagel SM, Deligianni L, Stolovitzky GA. Electrochemical characterization of thin film electrodes toward developing a DNA transistor. Langmuir : the Acs Journal of Surfaces and Colloids. 26: 19191-8. PMID 21090688 DOI: 10.1021/La102671G  0.291
1993 Scharf D, Martyna GJ, Li D, Voth GA, Klein ML. Nature of lithium trapping sites in the quantum solids para‐hydrogen and ortho‐deuterium The Journal of Chemical Physics. 99: 9013-9020. DOI: 10.1063/1.465569  0.289
1999 Tuckerman ME, Martyna GJ. Erratum: “Comment on ‘Simple reversible molecular dynamics algorithms for Nosé–Hoover chain dynamics’ ” [J. Chem. Phys. 110, 3623 (1999)] Journal of Chemical Physics. 111: 3313-3313. DOI: 10.1063/1.479612  0.288
1999 Tuckerman ME, Mundy CJ, Martyna GJ. On the classical statistical mechanics of non-Hamiltonian systems Europhysics Letters. 45: 149-155. DOI: 10.1209/Epl/I1999-00139-0  0.288
2011 Nistor RA, Newns DM, Martyna GJ. The role of chemistry in graphene doping for carbon-based electronics. Acs Nano. 5: 3096-103. PMID 21391615 DOI: 10.1021/Nn200225F  0.288
1994 Martyna GJ. Remarks on "Constant-temperature molecular dynamics with momentum conservation" Physical Review. E, Statistical Physics, Plasmas, Fluids, and Related Interdisciplinary Topics. 50: 3234-3236. PMID 9962369 DOI: 10.1103/Physreve.50.3234  0.287
2011 Luan B, Martyna G, Stolovitzky G. Characterizing and controlling the motion of ssDNA in a solid-state nanopore. Biophysical Journal. 101: 2214-22. PMID 22067161 DOI: 10.1016/J.Bpj.2011.08.038  0.287
2005 Mantz YA, Chen B, Martyna GJ. Temperature-dependent water structure: Ab initio and empirical model predictions Chemical Physics Letters. 405: 294-299. DOI: 10.1016/J.Cplett.2005.02.050  0.286
2012 Newns D, Elmegreen B, Liu XH, Martyna G. A low-voltage high-speed electronic switch based on piezoelectric transduction Journal of Applied Physics. 111: 84509. DOI: 10.1063/1.4704391  0.284
2018 Cipcigan F, Carrieri AP, Pyzer-Knapp EO, Krishna R, Hsiao YW, Winn M, Ryadnov MG, Edge C, Martyna G, Crain J. Accelerating molecular discovery through data and physical sciences: Applications to peptide-membrane interactions. The Journal of Chemical Physics. 148: 241744. PMID 29960328 DOI: 10.1063/1.5027261  0.283
2015 Hsiao J, Martyna GJ, Newns DM. Phase diagram of cuprate high-temperature superconductors described by a field theory based on anharmonic oxygen degrees of freedom. Physical Review Letters. 114: 107001. PMID 25815959 DOI: 10.1103/Physrevlett.114.107001  0.282
2005 Whitfield TW, Martyna GJ, Allison S, Bates SP, Crain J. Liquid NMA: A surprisingly realistic model for hydrogen bonding motifs in proteins Chemical Physics Letters. 414: 210-214. DOI: 10.1016/J.Cplett.2005.08.073  0.281
1993 Deng Z, Martyna GJ, Klein ML. Electronic states in metal-ammonia solutions. Physical Review Letters. 71: 267-270. PMID 10054906 DOI: 10.1103/Physrevlett.71.267  0.281
1988 Martyna GJ, Berne BJ. Structure and energetics of Xe−n The Journal of Chemical Physics. 88: 4516-4525. DOI: 10.1063/1.453759  0.281
2011 Harrer S, Waggoner PS, Luan B, Afzali-Ardakani A, Goldfarb DL, Peng H, Martyna G, Rossnagel SM, Stolovitzky GA. Electrochemical protection of thin film electrodes in solid state nanopores. Nanotechnology. 22: 275304. PMID 21597142 DOI: 10.1088/0957-4484/22/27/275304  0.28
2018 Eldeeb MS, Fadlallah MM, Martyna GJ, Maarouf AA. Doping of large-pore crown graphene nanomesh Carbon. 133: 369-378. DOI: 10.1016/J.Carbon.2018.03.048  0.277
2014 McCartney LN, Wright L, Cain MG, Crain J, Martyna GJ, Newns DM. Methods for determining piezoelectric properties of thin epitaxial films: Theoretical foundations Journal of Applied Physics. 116. DOI: 10.1063/1.4885058  0.274
2018 Pfeil MP, Pyne ALB, Losasso V, Ravi J, Lamarre B, Faruqui N, Alkassem H, Hammond K, Judge PJ, Winn M, Martyna GJ, Crain J, Watts A, Hoogenboom BW, Ryadnov MG. Tuneable poration: host defense peptides as sequence probes for antimicrobial mechanisms. Scientific Reports. 8: 14926. PMID 30297841 DOI: 10.1038/S41598-018-33289-Y  0.273
2012 Nistor RA, Kuroda MA, Maarouf AA, Martyna GJ. Doping of adsorbed graphene from defects and impurities in SiO 2 substrates Physical Review B - Condensed Matter and Materials Physics. 86. DOI: 10.1103/Physrevb.86.041409  0.273
2012 Newns DM, Elmegreen BG, Liu XH, Martyna GJ. High response piezoelectric and piezoresistive materials for fast, low voltage switching: simulation and theory of transduction physics at the nanometer-scale. Advanced Materials (Deerfield Beach, Fla.). 24: 3672-7. PMID 22689473 DOI: 10.1002/Adma.201104617  0.271
2014 Kuroda MA, Jiang Z, Povolotskyi M, Klimeck G, Newns DM, Martyna GJ. Anisotropic strain in SmSe and SmTe: Implications for electronic transport Physical Review B - Condensed Matter and Materials Physics. 90. DOI: 10.1103/Physrevb.90.245124  0.271
2012 Luan B, Stolovitzky G, Martyna G. Slowing and controlling the translocation of DNA in a solid-state nanopore. Nanoscale. 4: 1068-77. PMID 22081018 DOI: 10.1039/C1Nr11201E  0.266
2013 Copel M, Kuroda MA, Gordon MS, Liu XH, Mahajan SS, Martyna GJ, Moumen N, Armstrong C, Rossnagel SM, Shaw TM, Solomon PM, Theis TN, Yurkas JJ, Zhu Y, Newns DM. Giant piezoresistive on/off ratios in rare-earth chalcogenide thin films enabling nanomechanical switching. Nano Letters. 13: 4650-3. PMID 24016226 DOI: 10.1021/Nl401710F  0.264
2013 Jiang Z, Kuroda MA, Tan Y, Newns DM, Povolotskyi M, Boykin TB, Kubis T, Klimeck G, Martyna GJ. Electron transport in nano-scaled piezoelectronic devices Applied Physics Letters. 102. DOI: 10.1063/1.4804601  0.263
2017 Pyne A, Pfeil MP, Bennett I, Ravi J, Iavicoli P, Lamarre B, Roethke A, Ray S, Jiang H, Bella A, Reisinger B, Yin D, Little B, Muñoz-García JC, Cerasoli E, ... ... Martyna GJ, et al. Engineering monolayer poration for rapid exfoliation of microbial membranes. Chemical Science. 8: 1105-1115. PMID 28451250 DOI: 10.1039/C6Sc02925F  0.263
2010 Tulip PR, Gregor CR, Troitzsch RZ, Martyna GJ, Cerasoli E, Tranter G, Crain J. Conformational plasticity in an HIV-1 antibody epitope. The Journal of Physical Chemistry. B. 114: 7942-50. PMID 20491462 DOI: 10.1021/Jp100929N  0.263
2013 Ryan L, Lamarre B, Diu T, Ravi J, Judge PJ, Temple A, Carr M, Cerasoli E, Su B, Jenkinson HF, Martyna G, Crain J, Watts A, Ryadnov MG. Anti-antimicrobial peptides: folding-mediated host defense antagonists. The Journal of Biological Chemistry. 288: 20162-72. PMID 23737519 DOI: 10.1074/Jbc.M113.459560  0.262
2013 Rakowska PD, Jiang H, Ray S, Pyne A, Lamarre B, Carr M, Judge PJ, Ravi J, Gerling UI, Koksch B, Martyna GJ, Hoogenboom BW, Watts A, Crain J, Grovenor CR, et al. Nanoscale imaging reveals laterally expanding antimicrobial pores in lipid bilayers. Proceedings of the National Academy of Sciences of the United States of America. 110: 8918-23. PMID 23671080 DOI: 10.1073/Pnas.1222824110  0.262
1991 Martyna GJ, Klein ML. Pseudopotential calculation of the electronic states of small metal-ammonia clusters Journal of Physical Chemistry. 95: 515-518. DOI: 10.1021/J100155A005  0.26
2011 Kuroda MA, Tersoff J, Martyna GJ. Nonlinear screening in multilayer graphene systems. Physical Review Letters. 106: 116804. PMID 21469888 DOI: 10.1103/Physrevlett.106.116804  0.26
2015 Chang JB, Miyazoe H, Copel M, Solomon PM, Liu XH, Shaw TM, Schrott AG, Gignac LM, Martyna GJ, Newns DM. First realization of the piezoelectronic stress-based transduction device. Nanotechnology. 26: 375201. PMID 26302818 DOI: 10.1088/0957-4484/26/37/375201  0.258
2007 Fang B, Deng Y, Martyna GJ. Performance of the 3D FFT on the 6D network torus QCDOC parallel supercomputer Computer Physics Communications. 176: 531-538. DOI: 10.1016/J.Cpc.2006.12.006  0.258
1992 Scharf D, Klein ML, Martyna GJ. Path‐integral Monte Carlo studies ofpara‐hydrogen clusters The Journal of Chemical Physics. 97: 3590-3599. DOI: 10.1063/1.462994  0.258
2012 Cerasoli E, Ravi J, Gregor C, Hussain R, Siligardi G, Martyna G, Crain J, Ryadnov MG. Membrane mediated regulation in free peptides of HIV-1 gp41: minimal modulation of the hemifusion phase. Physical Chemistry Chemical Physics : Pccp. 14: 1277-85. PMID 22139400 DOI: 10.1039/C1Cp23155C  0.257
1992 Scharf D, Martyna GJ, Klein ML. Isotope effect on the melting of para-hydrogen and ortho-deuterium clusters Chemical Physics Letters. 197: 231-235. DOI: 10.1016/0009-2614(92)85760-8  0.251
2011 Gregor CR, Cerasoli E, Tulip PR, Ryadnov MG, Martyna GJ, Crain J. Autonomous folding in the membrane proximal HIV peptide gp41(659-671): pH tuneability at micelle interfaces. Physical Chemistry Chemical Physics : Pccp. 13: 127-35. PMID 21057682 DOI: 10.1039/C0Cp01502D  0.251
2001 Allen F, Almasi G, Andreoni W, Beece D, Berne BJ, Bright A, Brunheroto J, Cascaval C, Castanos J, Coteus P, Crumley P, Curioni A, Denneau M, Donath W, Eleftheriou M, ... ... Martyna G, et al. Blue Gene: A vision for protein science using a petaflop supercomputer Ibm Systems Journal. 40: 310-327. DOI: 10.1147/Sj.402.0310  0.25
2015 Stewart M, Lepadatu S, McCartney LN, Cain MG, Wright L, Crain J, Newns DM, Martyna GJ. Electrode size and boundary condition independent measurement of the effective piezoelectric coefficient of thin films Apl Materials. 3. DOI: 10.1063/1.4907954  0.25
2019 Cipcigan FS, Crain J, Sokhan VP, Martyna GJ. Electronic coarse graining: Predictive atomistic modeling of condensed matter Reviews of Modern Physics. 91. DOI: 10.1103/Revmodphys.91.025003  0.245
2010 Kasry A, Kuroda MA, Martyna GJ, Tulevski GS, Bol AA. Chemical doping of large-area stacked graphene films for use as transparent, conducting electrodes. Acs Nano. 4: 3839-44. PMID 20695514 DOI: 10.1021/Nn100508G  0.244
2011 Peng H, Luan B, Waggoner PS, Harrer S, Martyna GJ, Polonsky S, Rossnagel SM, Stolovitzky G. Functionalizing a Nanopore with Nano-Electrodes Towards the Control of the Translocation of DNA with Single Base Resolution Biophysical Journal. 100: 169a. DOI: 10.1016/J.Bpj.2010.12.1142  0.241
2011 Gregor CR, Cerasoli E, Schouten J, Ravi J, Slootstra J, Horgan A, Martyna GJ, Ryadnov MG, Davis P, Crain J. Antibody recognition of a human chorionic gonadotropin epitope (hCGbeta66-80) depends on local structure retained in the free peptide. The Journal of Biological Chemistry. 286: 25016-26. PMID 21592960 DOI: 10.1074/Jbc.M111.246637  0.241
1996 Cao J, Martyna GJ. Adiabatic path integral molecular dynamics methods. II. Algorithms Journal of Chemical Physics. 104: 2028-2035.  0.241
2011 Kuroda MA, Tersoff J, Newns DM, Martyna GJ. Conductance through multilayer graphene films. Nano Letters. 11: 3629-33. PMID 21834553 DOI: 10.1021/Nl201436B  0.241
2019 Kim M, Mandal S, Mikida E, Chandrasekar K, Bohm E, Jain N, Li Q, Kanakagiri R, Martyna GJ, Kale L, Ismail-Beigi S. Scalable GW software for quasiparticle properties using OpenAtom Computer Physics Communications. 244: 427-441. DOI: 10.1016/J.Cpc.2019.05.020  0.24
2013 Jones AP, Crain J, Cipcigan FS, Sokhan VP, Modani M, Martyna GJ. Electronically coarse-grained molecular dynamics using quantum Drude oscillators Molecular Physics. 111: 3465-3477. DOI: 10.1080/00268976.2013.843032  0.24
1996 Cao J, Martyna GJ. Adiabatic path integral molecular dynamics methods. II. Algorithms The Journal of Chemical Physics. 104: 2028-2035. DOI: 10.1063/1.470959  0.239
2012 Kasry A, El Ashry M, Nistor RA, Bol AA, Tulevski GS, Martyna GJ, Newns DM. High performance metal microstructure for carbon-based transparent conducting electrodes Thin Solid Films. 520: 4827-4830. DOI: 10.1016/J.Tsf.2012.01.031  0.237
2007 Troitzsch RZ, Martyna GJ, McLain SE, Soper AK, Crain J. Structure of aqueous proline via parallel tempering molecular dynamics and neutron diffraction. The Journal of Physical Chemistry. B. 111: 8210-22. PMID 17592868 DOI: 10.1021/Jp0714973  0.236
2014 Keech R, Shetty S, Kuroda MA, Hu Liu X, Martyna GJ, Newns DM, Trolier-McKinstry S. Lateral scaling of Pb(Mg1/3Nb2/3)O 3-PbTiO3 thin films for piezoelectric logic applications Journal of Applied Physics. 115. DOI: 10.1063/1.4882025  0.235
2007 Minary P, Tuckerman ME, Martyna GJ. Dynamical spatial warping: A novel method for the conformational sampling of biophysical structure Siam Journal On Scientific Computing. 30: 2055-2083. DOI: 10.1137/070686706  0.226
2020 Kim M, Martyna GJ, Ismail-Beigi S. Complex-time shredded propagator method for large-scale GW calculations Physical Review B. 101. DOI: 10.1103/Physrevb.101.035139  0.224
1996 Martyna GJ. Adiabatic path integral molecular dynamics methods. I. Theory Journal of Chemical Physics. 104: 2018-2027.  0.224
2006 Whitfield TW, Martyna GJ. A unified formalism for many-body polarization and dispersion: The quantum Drude model applied to fluid xenon Chemical Physics Letters. 424: 409-413. DOI: 10.1016/J.Cplett.2006.04.035  0.222
2007 Whitfield TW, Martyna GJ. Low variance energy estimators for systems of quantum Drude oscillators: treating harmonic path integrals with large separations of time scales. The Journal of Chemical Physics. 126: 074104. PMID 17328590 DOI: 10.1063/1.2424708  0.222
2018 Pfeil MP, Pyne ALB, Losasso V, Ravi J, Lamarre B, Faruqui N, Alkassem H, Hammond K, Judge PJ, Winn M, Martyna GJ, Crain J, Watts A, Hoogenboom BW, Ryadnov MG. Author Correction: Tuneable poration: host defense peptides as sequence probes for antimicrobial mechanisms. Scientific Reports. 8: 17266. PMID 30451943 DOI: 10.1038/S41598-018-35521-1  0.221
2014 Kuroda MA, Tersoff J, Nistor RA, Martyna GJ. Optimal thickness for charge transfer in multilayer graphene electrodes Physical Review Applied. 1. DOI: 10.1103/Physrevapplied.1.014005  0.218
2015 Sokhan VP, Jones AP, Cipcigan FS, Crain J, Martyna GJ. Signature properties of water: Their molecular electronic origins. Proceedings of the National Academy of Sciences of the United States of America. 112: 6341-6. PMID 25941394 DOI: 10.1073/Pnas.1418982112  0.214
2003 Newns DM, Donath W, Martyna GJ, Schabes ME, Lengsfield BH. A novel, scalable algorithm for magnetic recording simulation Proceedings of the 10th Ispe International Conference On Concurrent Engineering Research and Application, Enhanced Interoperable Systems. 1019-1025.  0.19
1998 Samuelson SO, Martyna GJ. Two dimensional umbrella sampling techniques for the computer simulation study of helical peptides at thermal equilibrium: The 3K(I) peptide in vacuo and solution Journal of Chemical Physics. 109: 11061-11073. DOI: 10.1063/1.477795  0.188
1999 Samuelson S, Martyna GJ. Computer simulation studies of finite temperature conformational equilibrium in alanine-based peptides Journal of Physical Chemistry B. 103: 1752-1766.  0.186
1994 Martyna GJ. Remarks on Constant-temperature molecular dynamics with momentum conservation Physical Review E. 50: 3234-3236. DOI: 10.1103/PhysRevE.50.3234  0.18
2006 Mantz YA, Chen B, Martyna GJ. Structural correlations and motifs in liquid water at selected temperatures: ab initio and empirical model predictions. The Journal of Physical Chemistry. B. 110: 3540-54. PMID 16494410 DOI: 10.1021/jp054789h  0.173
2002 Zhu Z, Tuckerman ME, Samuelson SO, Martyna GJ. Using novel variable transformations to enhance conformational sampling in molecular dynamics Physical Review Letters. 88: 1002011-1002014. PMID 11909330 DOI: 10.1103/Physrevlett.88.100201  0.17
1989 Martyna GJ, Berne BJ. Structure and energetics of Xen-: Many-body polarization effects The Journal of Chemical Physics. 90: 3744-3755.  0.168
2004 Vadali RV, Shi Y, Kumar S, Kale LV, Tuckerman ME, Martyna GJ. Scalable fine-grained parallelization of plane-wave-based ab initio molecular dynamics for large supercomputers Journal of Computational Chemistry. 25: 2006-2022. DOI: 10.1002/jcc.20113  0.168
2000 Tarek M, Martyna GJ, Tobias DJ. Amplitudes and frequencies of protein dynamics: Analysis of discrepancies between neutron scattering and molecular dynamics simulations [1] Journal of the American Chemical Society. 122: 10450-10451. DOI: 10.1021/Ja0016506  0.159
2000 Bug ALR, Martyna GJ. Calculation of neutron spectra for hydrogen in zeolites: Rotational motions and translational motions in the Born-Oppenheimer limit Chemical Physics. 261: 89-110. DOI: 10.1016/S0301-0104(00)00235-4  0.154
1997 Samuelson S, Hughes A, Martyna GJ. Solvent, force field, temperature and quantum effects on the folding free energy surface of blocked alanine tripeptide Journal De Chimie Physique Et De Physico-Chimie Biologique. 94: 1503-1531.  0.152
2006 Whitfield TW, Martyna GJ, Allison S, Bates SP, Vass H, Crain J. Structure and hydrogen bonding in neat N-methylacetamide: classical molecular dynamics and Raman spectroscopy studies of a liquid of peptidic fragments. The Journal of Physical Chemistry. B. 110: 3624-37. PMID 16494418 DOI: 10.1021/jp053140+  0.151
2002 Newns DM, Donath WE, Martyna GJ, Schabes ME, Lengsfield BE, Schrefl T. Performance of a novel algorithm for perpendicular magnetic recording simulation Proceedings - International Parallel and Distributed Processing Symposium, Ipdps 2002. 232-238. DOI: 10.1109/IPDPS.2002.1016649  0.148
1993 Scharf D, Martyna GJ, Li D, Voth GA, Klein ML. Nature of lithium trapping sites in the quantum solids para-hydrogen and ortho-deuterium The Journal of Chemical Physics. 99: 9013-9020.  0.148
1987 Martyna GJ, Berne BJ. Structure and energetics of Xen- The Journal of Chemical Physics. 88: 4516-4525.  0.147
1998 BANDYOPADHYAY S, KLEIN ML, MARTYNA GJ, TAREK M. Molecular dynamics studies of the hexagonal mesophase of sodium dodecylsulphate in aqueous solution Molecular Physics. 95: 377-384. DOI: 10.1080/00268979809483170  0.146
1992 Martyna GJ, Klein ML, Tuckerman M. Nosé–Hoover chains: The canonical ensemble via continuous dynamics The Journal of Chemical Physics. 97: 2635-2643. DOI: 10.1063/1.463940  0.143
2011 Li J, Luan B, Hsu TH, Zhu Y, Martyna G, Newns D, Cheng HY, Raoux S, Lung HL, Lam C. Explore physical origins of resistance drift in phase change memory and its implication for drift-insensitive materials Technical Digest - International Electron Devices Meeting, Iedm. 12.5.1-12.5.4. DOI: 10.1109/IEDM.2011.6131541  0.141
2004 Mináry P, Morrone JA, Yame DA, Tuckerman ME, Martyna GJ. Long range interactions on wires: A reciprocal space based formalism Journal of Chemical Physics. 121: 11949-11956. DOI: 10.1063/1.1806403  0.14
2012 Newns DM, Martyna GJ, Elmegreen BG, Liua XH, Theis TN, Trolier-McKinstry S. Piezoelectronics: A novel high performance, low power computer switching technology Proceedings of Spie - the International Society For Optical Engineering. 8373. DOI: 10.1117/12.918134  0.136
1992 Scharf D, Klein ML, Martyna GJ. Path-integral Monte Carlo studies of para-hydrogen clusters The Journal of Chemical Physics. 97: 3590-3599.  0.131
2012 Newns DM, Elmegreen BG, Liu XH, Martyna GJ. The piezoelectronic transistor: A nanoactuator-based post-CMOS digital switch with high speed and low power Mrs Bulletin. 37: 1071-1076. DOI: 10.1557/mrs.2012.267  0.126
1993 Martyna GJ, Deng Z, Klein ML. Quantum simulation studies of singlet and triplet bipolarons in liquid ammonia The Journal of Chemical Physics. 98: 555-563. DOI: 10.1063/1.464650  0.121
2013 Maarouf AA, Nistor RA, Afzali-Ardakani A, Kuroda MA, Newns DM, Martyna GJ. Crown Graphene Nanomeshes: Highly Stable Chelation-Doped Semiconducting Materials. Journal of Chemical Theory and Computation. 9: 2398-403. PMID 26583730 DOI: 10.1021/ct4000636  0.12
1991 Martyna GJ, Klein ML. Pseudopotential calculation of the electronic states of small metal-ammonia clusters The Journal of Physical Chemistry. 95: 515-518. DOI: 10.1021/J100155A005  0.119
2015 Magdû IB, Liu XH, Kuroda MA, Shaw TM, Crain J, Solomon PM, Newns DM, Martyna GJ. The piezoelectronic stress transduction switch for very large-scale integration, low voltage sensor computation, and radio frequency applications Applied Physics Letters. 107. DOI: 10.1063/1.4928681  0.117
1993 Scharf D, Martyna GJ, Klein ML. Path‐integral Monte Carlo study of a lithium impurity in para‐hydrogen: Clusters and the bulk liquid The Journal of Chemical Physics. 99: 8997-9012. DOI: 10.1063/1.465568  0.116
1992 Martyna GJ, Klein ML. The electronic states of lithium atoms in ammonia clusters and solution The Journal of Chemical Physics. 96: 7662-7671. DOI: 10.1063/1.462367  0.115
2017 Newns DM, Martyna GJ, Tsuei CC. Cuprate High Temperature Superconductors and the Vision for Room Temperature Superconductivity Spin. 7: 1750006. DOI: 10.1142/S2010324717500060  0.105
2015 Martyna GJ, Elmegreen B, Newns DM. Modeling the PiezoElectronic Transistor - A nanoscale, strain-based transduction device for fast low power switching Device Research Conference - Conference Digest, Drc. 2015: 221-222. DOI: 10.1109/DRC.2015.7175646  0.102
2011 Chandra B, Park H, Maarouf A, Martyna GJ, Tulevski GS. Carbon nanotube thin film transistors on flexible substrates Applied Physics Letters. 99. DOI: 10.1063/1.3622767  0.101
1994 Deng Z, Martyna GJ, Klein ML. Quantum simulation studies of metal–ammonia solutions The Journal of Chemical Physics. 100: 7590-7601. DOI: 10.1063/1.466852  0.1
2016 Maarouf AA, Kasry A, Chandra B, Martyna GJ. A graphene-carbon nanotube hybrid material for photovoltaic applications Carbon. 102: 74-80. DOI: 10.1016/J.Carbon.2016.02.024  0.1
2015 Hsiao J, Martyna GJ, Newns DM. Phase diagram of cuprate high-temperature superconductors described by a field theory based on anharmonic oxygen degrees of freedom Physical Review Letters. 114. DOI: 10.1103/PhysRevLett.114.107001  0.099
1991 MARTYNA GJ, KLEIN ML. THE ELECTRONIC STATES OF METAL-AMMONIA CLUSTERS AND SOLUTION Le Journal De Physique Iv. 1: C5-103-C5-113. DOI: 10.1051/JP4:1991513  0.099
2013 Solomon PM, Bryce B, Keech R, Shaw TM, Copel M, Hung LW, Schrott A, Theis TN, Haensch W, Rossangel SM, Shetty S, Miyazoe H, Elmegreen BG, Kuroda MA, Liu XH, ... ... Martyna GJ, et al. The PiezoElectronic switch: A path to low energy electronics 2013 3rd Berkeley Symposium On Energy Efficient Electronic Systems, E3s 2013 - Proceedings. DOI: 10.1109/E3S.2013.6705880  0.088
2015 Solomon PM, Bryce BA, Kuroda MA, Keech R, Shetty S, Shaw TM, Copel M, Hung LW, Schrott AG, Armstrong C, Gordon MS, Reuter KB, Theis TN, Haensch W, Rossnagel SM, ... ... Martyna GJ, et al. Pathway to the piezoelectronic transduction logic device. Nano Letters. 15: 2391-5. PMID 25793915 DOI: 10.1021/Nl5046796  0.087
2005 Lee HS, Tuckerman ME, Martyna GJ. Efficient evaluation of nonlocal pseudopotentials via euler exponential spline interpolation Chemphyschem. 6: 1827-1835. DOI: 10.1002/cphc.200500123  0.068
2010 Kasry A, Tulevski G, Kuroda MA, Bol AA, Martyna GJ, Menges B, Oida S, Ashry ME, Copel M, Vyklicky L. Electrical and optical properties of graphene mono- and multi-layers; towards graphene-based optoelectronics Proceedings - 2010 8th International Vacuum Electron Sources Conference and Nanocarbon, Ivesc 2010 and Nanocarbon 2010. 119-120. DOI: 10.1109/IVESC.2010.5644444  0.064
2015 Solomon PM, Elmegreen BG, Copel M, Kuroda MA, Martyna GJ, Newns DM. The piezoelectronic transistor Cmos and Beyond: Logic Switches For Terascale Integrated Circuits. 236-262. DOI: 10.1017/CBO9781107337886.014  0.041
2001 Allen F, Almasi G, Andreoni W, Beece D, Berne BJ, Bright A, Brunheroto J, Cascaval C, Castanos J, Coteus P, Crumley P, Curioni A, Denneau M, Donath W, Eleftheriou M, ... Martyna G, et al. Blue Gene: A vision for protein science using a petaflop supercomputer Ibm Systems Journal. 40: 310-327. DOI: 10.1147/sj.402.0310  0.015
Hide low-probability matches.