Year |
Citation |
Score |
2022 |
Alamri A, Wu C, Nasreen S, Tran H, Yassin O, Gentile R, Kamal D, Ramprasad R, Cao Y, Sotzing G. High dielectric constant and high breakdown strength polyimide tin complexation of the polyamide acid precursor. Rsc Advances. 12: 9095-9100. PMID 35424840 DOI: 10.1039/d1ra06302b |
0.629 |
|
2021 |
Linker T, Wang Y, Mishra A, Kamal D, Cao Y, Kalia RK, Nakano A, Ramprasad R, Shimojo F, Sotzing G, Vashishta P. Deep Well Trapping of Hot Carriers in a Hexagonal Boron Nitride Coating of Polymer Dielectrics. Acs Applied Materials & Interfaces. PMID 34890506 DOI: 10.1021/acsami.1c14587 |
0.63 |
|
2021 |
Wang Y, Nasreen S, Kamal D, Li Z, Wu C, Huo J, Chen L, Ramprasad R, Cao Y. Tuning Surface States of Metal/Polymer Contacts Toward Highly Insulating Polymer-Based Dielectrics. Acs Applied Materials & Interfaces. PMID 34520160 DOI: 10.1021/acsami.1c12854 |
0.644 |
|
2021 |
Wu C, Chen L, Deshmukh A, Kamal D, Li Z, Shetty P, Zhou J, Sahu H, Tran H, Sotzing G, Ramprasad R, Cao Y. Dielectric Polymers Tolerant to Electric Field and Temperature Extremes: Integration of Phenomenology, Informatics, and Experimental Validation. Acs Applied Materials & Interfaces. PMID 34436852 DOI: 10.1021/acsami.1c11885 |
0.648 |
|
2021 |
Kamal D, Tran H, Kim C, Wang Y, Chen L, Cao Y, Joseph VR, Ramprasad R. Novel high voltage polymer insulators using computational and data-driven techniques. The Journal of Chemical Physics. 154: 174906. PMID 34241081 DOI: 10.1063/5.0044306 |
0.652 |
|
2020 |
Batra R, Chan H, Kamath G, Ramprasad R, Cherukara MJ, Sankaranarayanan SKRS. Screening of Therapeutic Agents for COVID-19 Using Machine Learning and Ensemble Docking Studies. The Journal of Physical Chemistry Letters. PMID 32787328 DOI: 10.1021/Acs.Jpclett.0C02278 |
0.303 |
|
2020 |
Kamal D, Wang Y, Tran HD, Chen L, Li Z, Wu C, Nasreen S, Cao Y, Ramprasad R. Computable Bulk and Interfacial Electronic Structure Features as Proxies for Dielectric Breakdown of Polymers. Acs Applied Materials & Interfaces. PMID 32705867 DOI: 10.1021/Acsami.0C09555 |
0.681 |
|
2020 |
Huan TD, Ramprasad R. Polymer Structure Prediction from First Principles. The Journal of Physical Chemistry Letters. 5823-5829. PMID 32609529 DOI: 10.1021/Acs.Jpclett.0C01553 |
0.374 |
|
2020 |
Venkatram S, Batra R, Chen L, Kim C, Shelton M, Ramprasad R. Predicting Crystallization Tendency of Polymers using Multi-fidelity Information Fusion and Machine Learning. The Journal of Physical Chemistry. B. PMID 32539396 DOI: 10.1021/Acs.Jpcb.0C01865 |
0.405 |
|
2020 |
Chapman J, Ramprasad R. Predicting the dynamic behavior of the mechanical properties of platinum with machine learning. The Journal of Chemical Physics. 152: 224709. PMID 32534526 DOI: 10.1063/5.0008955 |
0.353 |
|
2020 |
Wu C, Deshmukh AA, Li Z, Chen L, Alamri A, Wang Y, Ramprasad R, Sotzing GA, Cao Y. Flexible Temperature-Invariant Polymer Dielectrics with Large Bandgap. Advanced Materials (Deerfield Beach, Fla.). e2000499. PMID 32249991 DOI: 10.1002/Adma.202000499 |
0.395 |
|
2020 |
Zhu G, Kim C, Chandrasekarn A, Everett JD, Ramprasad R, Lively RP. Polymer genome–based prediction of gas permeabilities in polymers Journal of Polymer Engineering. 40: 451-457. DOI: 10.1515/Polyeng-2019-0329 |
0.332 |
|
2020 |
Lightstone JP, Chen L, Kim C, Batra R, Ramprasad R. Refractive index prediction models for polymers using machine learning Journal of Applied Physics. 127: 215105. DOI: 10.1063/5.0008026 |
0.401 |
|
2020 |
Chandrasekaran A, Kim C, Venkatram S, Ramprasad R. A Deep Learning Solvent-Selection Paradigm Poweredby a Massive Solvent/Nonsolvent Database for Polymers Macromolecules. 53: 4764-4769. DOI: 10.1021/Acs.Macromol.0C00251 |
0.351 |
|
2020 |
Chapman J, Ramprasad R. Nano-Scale Modelling of Surface Phenomena in Aluminum Using Machine Learning Force Fields Journal of Physical Chemistry C. DOI: 10.1021/Acs.Jpcc.0C05512 |
0.325 |
|
2020 |
Batra R, Tran HD, Johnson B, Zoellner B, Maggard PA, Jones JL, Rossetti GA, Ramprasad R. Search for Ferroelectric Binary Oxides: Chemical and Structural Space Exploration Guided by Group Theory and Computations Chemistry of Materials. 32: 3823-3832. DOI: 10.1021/Acs.Chemmater.9B05324 |
0.314 |
|
2020 |
Chapman J, Batra R, Ramprasad R. Machine learning models for the prediction of energy, forces, and stresses for Platinum Computational Materials Science. 174: 109483. DOI: 10.1016/J.Commatsci.2019.109483 |
0.387 |
|
2020 |
Patra A, Batra R, Chandrasekaran A, Kim C, Huan TD, Ramprasad R. A multi-fidelity information-fusion approach to machine learn and predict polymer bandgap Computational Materials Science. 172: 109286. DOI: 10.1016/J.Commatsci.2019.109286 |
0.646 |
|
2020 |
Wu C, Deshmukh AA, Li Z, Chen L, Alamri A, Wang Y, Ramprasad R, Sotzing GA, Cao Y. Molecular Engineering: Flexible Temperature‐Invariant Polymer Dielectrics with Large Bandgap (Adv. Mater. 21/2020) Advanced Materials. 32: 2070165. DOI: 10.1002/Adma.202070165 |
0.347 |
|
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 |
0.396 |
|
2019 |
Venkatram S, Kim C, Chandrasekaran A, Ramprasad R. Critical assessment of the Hildebrand and Hansen solubility parameters for polymers. Journal of Chemical Information and Modeling. PMID 31545900 DOI: 10.1021/Acs.Jcim.9B00656 |
0.372 |
|
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 |
0.377 |
|
2019 |
Pun GPP, Batra R, Ramprasad R, Mishin Y. Physically informed artificial neural networks for atomistic modeling of materials. Nature Communications. 10: 2339. PMID 31138813 DOI: 10.1038/S41467-019-10343-5 |
0.327 |
|
2019 |
Batra R, Pilania G, Uberuaga BP, Ramprasad R. Multifidelity Information Fusion with Machine Learning: A Case Study of Dopant Formation Energies in Hafnia. Acs Applied Materials & Interfaces. PMID 30990303 DOI: 10.1021/Acsami.9B02174 |
0.671 |
|
2019 |
Kim C, Chandrasekaran A, Jha A, Ramprasad R. Active-learning and materials design: the example of high glass transition temperature polymers Mrs Communications. 9: 860-866. DOI: 10.1557/Mrc.2019.78 |
0.365 |
|
2019 |
Jha A, Chandrasekaran A, Kim C, Ramprasad R. Impact of dataset uncertainties on machine learning model predictions: the example of polymer glass transition temperatures Modelling and Simulation in Materials Science and Engineering. 27: 024002. DOI: 10.1088/1361-651X/Aaf8Ca |
0.4 |
|
2019 |
Wu C, Li Z, Treich GM, Tefferi M, Casalini R, Ramprasad R, Sotzing GA, Cao Y. Dipole-relaxation dynamics in a modified polythiourea with high dielectric constant for energy storage applications Applied Physics Letters. 115: 163901. DOI: 10.1063/1.5123484 |
0.358 |
|
2019 |
Li Z, Treich G, Tefferi M, Wu C, Nasreen S, Scheirey SK, Ramprasad R, Sotzing GA, Cao Y. High energy density and high efficiency all-organic polymers with enhanced dipolar polarization Journal of Materials Chemistry A. 7: 15026-15030. DOI: 10.1039/C9Ta03601F |
0.362 |
|
2019 |
Huan TD, Batra R, Chapman J, Kim C, Chandrasekaran A, Ramprasad R. Iterative-Learning Strategy for the Development of Application-Specific Atomistic Force Fields The Journal of Physical Chemistry C. 123: 20715-20722. DOI: 10.1021/Acs.Jpcc.9B04207 |
0.315 |
|
2019 |
Batra R, Tran HD, Kim C, Chapman J, Chen L, Chandrasekaran A, Ramprasad R. General Atomic Neighborhood Fingerprint for Machine Learning-Based Methods Journal of Physical Chemistry C. 123: 15859-15866. DOI: 10.1021/Acs.Jpcc.9B03925 |
0.374 |
|
2019 |
Chen L, Venkatram S, Kim C, Batra R, Chandrasekaran A, Ramprasad R. Electrochemical Stability Window of Polymeric Electrolytes Chemistry of Materials. 31: 4598-4604. DOI: 10.1021/Acs.Chemmater.9B01553 |
0.371 |
|
2019 |
Chen L, Tran H, Batra R, Kim C, Ramprasad R. Machine learning models for the lattice thermal conductivity prediction of inorganic materials Computational Materials Science. 170: 109155. DOI: 10.1016/J.Commatsci.2019.109155 |
0.352 |
|
2019 |
Chapman J, Batra R, Uberuaga B, Pilania G, Ramprasad R. A comprehensive computational study of adatom diffusion on the aluminum (1 0 0) surface Computational Materials Science. 158: 353-358. DOI: 10.1016/J.Commatsci.2018.11.032 |
0.643 |
|
2018 |
Chen L, Tran HD, Ramprasad R. Atomistic mechanisms for chemical defects formation in polyethylene. The Journal of Chemical Physics. 149: 234902. PMID 30579297 DOI: 10.1063/1.5063944 |
0.384 |
|
2018 |
Nasreen S, Baczkowski ML, Treich GM, Tefferi M, Anastasia C, Ramprasad R, Cao Y, Sotzing GA. Sn-Polyester/Polyimide Hybrid Flexible Free-Standing Film as a Tunable Dielectric Material. Macromolecular Rapid Communications. e1800679. PMID 30417467 DOI: 10.1002/Marc.201800679 |
0.324 |
|
2018 |
Heo SJ, Batra R, Ramprasad R, Singh P. Crystal Morphology and Phase Transformation of LiAlO2: Combined Experimental and First-Principles Studies The Journal of Physical Chemistry C. 122: 28797-28804. DOI: 10.1021/Acs.Jpcc.8B09716 |
0.303 |
|
2018 |
Kim C, Chandrasekaran A, Huan TD, Das D, Ramprasad R. Polymer Genome: A Data-Powered Polymer Informatics Platform for Property Predictions The Journal of Physical Chemistry C. 122: 17575-17585. DOI: 10.1021/Acs.Jpcc.8B02913 |
0.434 |
|
2018 |
Das D, Chandrasekaran A, Venkatram S, Ramprasad R. Effect of Crystallinity on Li Adsorption in Polyethylene Oxide Chemistry of Materials. 30: 8804-8810. DOI: 10.1021/Acs.Chemmater.8B03434 |
0.345 |
|
2018 |
Chen L, Batra R, Ranganathan R, Sotzing G, Cao Y, Ramprasad R. Electronic Structure of Polymer Dielectrics: The Role of Chemical and Morphological Complexity Chemistry of Materials. 30: 7699-7706. DOI: 10.1021/Acs.Chemmater.8B02997 |
0.386 |
|
2017 |
Chen L, Huan TD, Ramprasad R. Electronic Structure of Polyethylene: Role of Chemical, Morphological and Interfacial Complexity. Scientific Reports. 7: 6128. PMID 28733625 DOI: 10.1038/S41598-017-06357-Y |
0.352 |
|
2017 |
Carbogno C, Ramprasad R, Scheffler M. Ab Initio Green-Kubo Approach for the Thermal Conductivity of Solids. Physical Review Letters. 118: 175901. PMID 28498695 DOI: 10.1103/Physrevlett.118.175901 |
0.31 |
|
2017 |
Kim C, Huan TD, Krishnan S, Ramprasad R. A hybrid organic-inorganic perovskite dataset. Scientific Data. 4: 170057. PMID 28485719 DOI: 10.1038/Sdata.2017.57 |
0.362 |
|
2017 |
Treich GM, Tefferi M, Nasreen S, Mannodi-Kanakkithodi A, Li Z, Ramprasad R, Sotzing GA, Cao Y. A rational co-design approach to the creation of new dielectric polymers with high energy density Ieee Transactions On Dielectrics and Electrical Insulation. 24: 732-743. DOI: 10.1109/Tdei.2017.006329 |
0.405 |
|
2017 |
Kim C, Ramprasad R. Dielectric breakdown field of strained silicon under hydrostatic pressure Applied Physics Letters. 111: 112904. DOI: 10.1063/1.5003344 |
0.314 |
|
2017 |
Ramprasad R, Batra R, Pilania G, Mannodi-Kanakkithodi A, Kim C. Machine learning in materials informatics: recent applications and prospects Npj Computational Materials. 3. DOI: 10.1038/s41524-017-0056-5 |
0.608 |
|
2017 |
Mannodi-Kanakkithodi A, Huan TD, Ramprasad R. Mining materials design rules from data: The example of polymer dielectrics Chemistry of Materials. 29: 9001-9010. DOI: 10.1021/Acs.Chemmater.7B02027 |
0.436 |
|
2017 |
Mannodi-Kanakkithodi A, Chandrasekaran A, Kim C, Huan TD, Pilania G, Botu V, Ramprasad R. Scoping the polymer genome: A roadmap for rational polymer dielectrics design and beyond Materials Today. 21: 785-796. DOI: 10.1016/J.Mattod.2017.11.021 |
0.689 |
|
2017 |
Botu V, Chapman J, Ramprasad R. A study of adatom ripening on an Al (1 1 1) surface with machine learning force fields Computational Materials Science. 129: 332-335. DOI: 10.1016/J.Commatsci.2016.12.007 |
0.35 |
|
2016 |
Kashfi Sadabad R, Yazdani S, Alemi A, Huan TD, Ramprasad R, Pettes MT. Block copolymer-assisted solvothermal synthesis of hollow Bi2MoO6 spheres substituted with samarium. Langmuir : the Acs Journal of Surfaces and Colloids. PMID 27689819 DOI: 10.1021/Acs.Langmuir.6B02854 |
0.325 |
|
2016 |
Treich GM, Nasreen S, Mannodi-Kanakkithodi A, Ma R, Tefferi M, Flynn J, Cao Y, Ramprasad R, Sotzing GA. Optimization of Organotin Polymers for Dielectric Applications. Acs Applied Materials & Interfaces. PMID 27467895 DOI: 10.1021/Acsami.6B04091 |
0.4 |
|
2016 |
Misra M, Mannodi-Kanakkithodi A, Chung TC, Ramprasad R, Kumar SK. Critical role of morphology on the dielectric constant of semicrystalline polyolefins. The Journal of Chemical Physics. 144: 234905. PMID 27334192 DOI: 10.1063/1.4953182 |
0.396 |
|
2016 |
Pham TH, Ramprasad R, Nguyen HV. Density-functional description of polymer crystals: A comparative study of recent van der Waals functionals. The Journal of Chemical Physics. 144: 214905. PMID 27276968 DOI: 10.1063/1.4953170 |
0.358 |
|
2016 |
Mannodi-Kanakkithodi A, Treich GM, Huan TD, Ma R, Tefferi M, Cao Y, Sotzing GA, Ramprasad R. Rational Co-Design of Polymer Dielectrics for Energy Storage. Advanced Materials (Deerfield Beach, Fla.). PMID 27167752 DOI: 10.1002/Adma.201600377 |
0.407 |
|
2016 |
Huan TD, Mannodi-Kanakkithodi A, Kim C, Sharma V, Pilania G, Ramprasad R. A polymer dataset for accelerated property prediction and design. Scientific Data. 3: 160012. PMID 26927478 DOI: 10.1038/Sdata.2016.12 |
0.696 |
|
2016 |
Mannodi-Kanakkithodi A, Pilania G, Huan TD, Lookman T, Ramprasad R. Machine Learning Strategy for Accelerated Design of Polymer Dielectrics. Scientific Reports. 6: 20952. PMID 26876223 DOI: 10.1038/Srep20952 |
0.692 |
|
2016 |
Pilania G, Mannodi-Kanakkithodi A, Uberuaga BP, Ramprasad R, Gubernatis JE, Lookman T. Machine learning bandgaps of double perovskites. Scientific Reports. 6: 19375. PMID 26783247 DOI: 10.1038/Srep19375 |
0.662 |
|
2016 |
Sharma V, Mahapatra MK, Krishnan S, Thatcher Z, Huey BD, Singh P, Ramprasad R. Effects of moisture on (La, A)MnO3 (A = Ca, Sr, and Ba) solid oxide fuel cell cathodes: A first-principles and experimental study Journal of Materials Chemistry A. 4: 5605-5615. DOI: 10.1039/C6Ta00603E |
0.356 |
|
2016 |
Botu V, Batra R, Chapman J, Ramprasad R. Machine Learning Force Fields: Construction, Validation, and Outlook The Journal of Physical Chemistry C. 121: 511-522. DOI: 10.1021/Acs.Jpcc.6B10908 |
0.322 |
|
2016 |
Kim C, Pilania G, Ramprasad R. Machine Learning Assisted Predictions of Intrinsic Dielectric Breakdown Strength of ABX3 Perovskites Journal of Physical Chemistry C. 120: 14575-14580. DOI: 10.1021/Acs.Jpcc.6B05068 |
0.687 |
|
2016 |
Krishnan S, Sharma V, Singh P, Ramprasad R. Dopants in lanthanum manganite: Insights from first-principles chemical space exploration Journal of Physical Chemistry C. 120: 22126-22133. DOI: 10.1021/Acs.Jpcc.6B04524 |
0.301 |
|
2016 |
Kim C, Pilania G, Ramprasad R. From Organized High-Throughput Data to Phenomenological Theory using Machine Learning: The Example of Dielectric Breakdown Chemistry of Materials. 28: 1304-1311. DOI: 10.1021/Acs.Chemmater.5B04109 |
0.653 |
|
2016 |
Huan TD, Boggs S, Teyssedre G, Laurent C, Cakmak M, Kumar S, Ramprasad R. Advanced polymeric dielectrics for high energy density applications Progress in Materials Science. 83: 236-269. DOI: 10.1016/J.Pmatsci.2016.05.001 |
0.417 |
|
2016 |
Mannodi-Kanakkithodi A, Pilania G, Ramprasad R. Critical assessment of regression-based machine learning methods for polymer dielectrics Computational Materials Science. 125: 123-135. DOI: 10.1016/J.Commatsci.2016.08.039 |
0.689 |
|
2016 |
Mannodi-Kanakkithodi A, Pilania G, Ramprasad R, Lookman T, Gubernatis JE. Multi-objective optimization techniques to design the Pareto front of organic dielectric polymers Computational Materials Science. 125: 92-99. DOI: 10.1016/J.Commatsci.2016.08.018 |
0.682 |
|
2016 |
Luo Z, Miao R, Huan TD, Mosa IM, Poyraz AS, Zhong W, Cloud JE, Kriz DA, Thanneeru S, He J, Zhang Y, Ramprasad R, Suib SL. Mesoporous MoO3–x Material as an Efficient Electrocatalyst for Hydrogen Evolution Reactions Advanced Energy Materials. 6. DOI: 10.1002/Aenm.201600528 |
0.325 |
|
2015 |
Chen L, Tran HD, Wang C, Ramprasad R. Unraveling the luminescence signatures of chemical defects in polyethylene. The Journal of Chemical Physics. 143: 124907. PMID 26429041 DOI: 10.1063/1.4931986 |
0.323 |
|
2015 |
Baldwin AF, Ma R, Mannodi-Kanakkithodi A, Huan TD, Wang C, Tefferi M, Marszalek JE, Cakmak M, Cao Y, Ramprasad R, Sotzing GA. Poly(dimethyltin glutarate) as a prospective material for high dielectric applications. Advanced Materials (Deerfield Beach, Fla.). 27: 346-51. PMID 25420940 DOI: 10.1002/Adma.201404162 |
0.401 |
|
2015 |
Botu V, Ramprasad R. Learning scheme to predict atomic forces and accelerate materials simulations Physical Review B - Condensed Matter and Materials Physics. 92. DOI: 10.1103/Physrevb.92.094306 |
0.336 |
|
2015 |
Huan TD, Mannodi-Kanakkithodi A, Ramprasad R. Accelerated materials property predictions and design using motif-based fingerprints Physical Review B - Condensed Matter and Materials Physics. 92. DOI: 10.1103/Physrevb.92.014106 |
0.365 |
|
2015 |
Ma R, Sharma V, Baldwin AF, Tefferi M, Offenbach I, Cakmak M, Weiss R, Cao Y, Ramprasad R, Sotzing GA. Rational design and synthesis of polythioureas as capacitor dielectrics Journal of Materials Chemistry A. 3: 14845-14852. DOI: 10.1039/C5Ta01252J |
0.44 |
|
2015 |
Baldwin AF, Huan TD, Ma R, Mannodi-Kanakkithodi A, Tefferi M, Katz N, Cao Y, Ramprasad R, Sotzing GA. Rational design of organotin polyesters Macromolecules. 48: 2422-2428. DOI: 10.1021/Ma502424R |
0.411 |
|
2015 |
Chen L, Huan TD, Quintero YC, Ramprasad R. Charge injection barriers at metal/polyethylene interfaces Journal of Materials Science. DOI: 10.1007/S10853-015-9369-2 |
0.343 |
|
2015 |
Sharma V, Mahapatra MK, Singh P, Ramprasad R. Cationic surface segregation in doped LaMnO3 Journal of Materials Science. 50: 3051-3056. DOI: 10.1007/S10853-015-8861-Z |
0.314 |
|
2015 |
Botu V, Ramprasad R. Adaptive machine learning framework to accelerate ab initio molecular dynamics International Journal of Quantum Chemistry. 115: 1074-1083. DOI: 10.1002/Qua.24836 |
0.359 |
|
2014 |
Baldwin AF, Ma R, Huan TD, Cao Y, Ramprasad R, Sotzing GA. Effect of incorporating aromatic and chiral groups on the dielectric properties of poly(dimethyltin esters). Macromolecular Rapid Communications. 35: 2082-8. PMID 25381737 DOI: 10.1002/Marc.201400507 |
0.341 |
|
2014 |
Sharma V, Wang C, Lorenzini RG, Ma R, Zhu Q, Sinkovits DW, Pilania G, Oganov AR, Kumar S, Sotzing GA, Boggs SA, Ramprasad R. Rational design of all organic polymer dielectrics. Nature Communications. 5: 4845. PMID 25229753 DOI: 10.1038/Ncomms5845 |
0.687 |
|
2014 |
Ma R, Baldwin AF, Wang C, Offenbach I, Cakmak M, Ramprasad R, Sotzing GA. Rationally designed polyimides for high-energy density capacitor applications. Acs Applied Materials & Interfaces. 6: 10445-51. PMID 24911181 DOI: 10.1021/Am502002V |
0.437 |
|
2014 |
Wang C, Ramprasad R. Novel hybrid polymer dielectrics based on group 14 chemical motifs International Journal of High Speed Electronics and Systems. 23. DOI: 10.1142/S012915641420002X |
0.366 |
|
2014 |
Yadav SK, Liu XY, Wang J, Ramprasad R, Misra A, Hoagland RG. First-principles density functional theory study of generalized stacking faults in TiN and MgO Philosophical Magazine. 94: 464-475. DOI: 10.1080/14786435.2013.856525 |
0.309 |
|
2014 |
Ramanath G, Kwan M, Chow PK, Quintero YC, Mutin PH, Ramprasad R. Tuning of noble metal work function with organophosphonate nanolayers Applied Physics Letters. 105. DOI: 10.1063/1.4890486 |
0.343 |
|
2014 |
Misra M, Agarwal M, Sinkovits DW, Kumar SK, Wang C, Pilania G, Ramprasad R, Weiss RA, Yuan X, Chung TCM. Enhanced polymeric dielectrics through incorporation of hydroxyl groups Macromolecules. 47: 1122-1129. DOI: 10.1021/Ma402220J |
0.629 |
|
2014 |
Liu CS, Pilania G, Wang C, Ramprasad R. How critical are the van der Waals interactions in polymer crystals? (The Journal of Physical Chemistry A (2012) 116:37 (9347-9352) DOI:10.1021/jp3005844) Journal of Physical Chemistry A. 118: 3710. DOI: 10.1021/Jp504191N |
0.6 |
|
2014 |
Sharma HN, Sharma V, Hamzehlouyan T, Epling W, Mhadeshwar AB, Ramprasad R. SOx oxidation kinetics on Pt(111) and Pd(111): First-principles computations meet microkinetic modeling Journal of Physical Chemistry C. 118: 6934-6940. DOI: 10.1021/Jp501538V |
0.31 |
|
2014 |
Botu V, Ramprasad R, Mhadeshwar AB. Ceria in an oxygen environment: Surface phase equilibria and its descriptors Surface Science. 619: 49-58. DOI: 10.1016/J.Susc.2013.09.019 |
0.336 |
|
2014 |
Wang CC, Pilania G, Boggs SA, Kumar S, Breneman C, Ramprasad R. Computational strategies for polymer dielectrics design Polymer (United Kingdom). 55: 979-988. DOI: 10.1016/J.Polymer.2013.12.069 |
0.69 |
|
2014 |
Mannodi-Kanakkithodi A, Wang CC, Ramprasad R. Compounds based on Group 14 elements: building blocks for advanced insulator dielectrics design Journal of Materials Science. 50: 801-807. DOI: 10.1007/S10853-014-8640-2 |
0.358 |
|
2013 |
Pilania G, Wang C, Jiang X, Rajasekaran S, Ramprasad R. Accelerating materials property predictions using machine learning. Scientific Reports. 3: 2810. PMID 24077117 DOI: 10.1038/Srep02810 |
0.651 |
|
2013 |
Pilania G, Wang CC, Wu K, Sukumar N, Breneman C, Sotzing G, Ramprasad R. New Group IV chemical motifs for improved dielectric permittivity of polyethylene. Journal of Chemical Information and Modeling. 53: 879-86. PMID 23521565 DOI: 10.1021/Ci400033H |
0.696 |
|
2013 |
Sharma V, Pilania G, Rossetti GA, Slenes K, Ramprasad R. Comprehensive examination of dopants and defects in BaTiO3 from first principles Physical Review B - Condensed Matter and Materials Physics. 87. DOI: 10.1103/Physrevb.87.134109 |
0.621 |
|
2013 |
Wang CC, Pilania G, Ramprasad R. Dielectric properties of carbon-, silicon-, and germanium-based polymers: A first-principles study Physical Review B - Condensed Matter and Materials Physics. 87. DOI: 10.1103/Physrevb.87.035103 |
0.693 |
|
2013 |
Cardona Quintero Y, Ramanath G, Ramprasad R. Environment-dependent interfacial strength using first principles thermodynamics: The example of the Pt-HfO2 interface Journal of Applied Physics. 114. DOI: 10.1063/1.4826528 |
0.326 |
|
2013 |
Bealing CR, Ramprasad R. An atomistic description of the high-field degradation of dielectric polyethylene Journal of Chemical Physics. 139. DOI: 10.1063/1.4824386 |
0.321 |
|
2013 |
Zhu H, Ramanath G, Ramprasad R. Interface engineering through atomic dopants in HfO2-based gate stacks Journal of Applied Physics. 114. DOI: 10.1063/1.4821797 |
0.319 |
|
2013 |
Chow PK, Cardona Quintero Y, O'Brien P, Hubert Mutin P, Lane M, Ramprasad R, Ramanath G. Gold-titania interface toughening and thermal conductance enhancement using an organophosphonate nanolayer Applied Physics Letters. 102. DOI: 10.1063/1.4807436 |
0.338 |
|
2013 |
Wang CC, Pilania G, Ramprasad R, Agarwal M, Misra M, Kumar S, Yuan X, Mike Chung TC. Dielectric permittivity enhancement in hydroxyl functionalized polyolefins via cooperative interactions with water Applied Physics Letters. 102. DOI: 10.1063/1.4801950 |
0.63 |
|
2013 |
Pilania G, Slenes K, Ramprasad R. First principles study of the interface between silicone and undoped/doped BaTiO3 Journal of Applied Physics. 113. DOI: 10.1063/1.4791755 |
0.66 |
|
2013 |
Lorenzini RG, Kline WM, Wang CC, Ramprasad R, Sotzing GA. The rational design of polyurea & polyurethane dielectric materials Polymer (United Kingdom). 54: 3529-3533. DOI: 10.1016/J.Polymer.2013.05.003 |
0.396 |
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2013 |
Baldwin AF, Ma R, Wang C, Ramprasad R, Sotzing GA. Structure-property relationship of polyimides based on pyromellitic dianhydride and short-chain aliphatic diamines for dielectric material applications Journal of Applied Polymer Science. 130: 1276-1280. DOI: 10.1002/App.39240 |
0.416 |
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2012 |
Liu CS, Pilania G, Wang C, Ramprasad R. How critical are the van der Waals interactions in polymer crystals? The Journal of Physical Chemistry. A. 116: 9347-52. PMID 22937808 DOI: 10.1021/Jp3005844 |
0.646 |
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2012 |
Sun Y, Boggs SA, Ramprasad R. The intrinsic electrical breakdown strength of insulators from first principles Applied Physics Letters. 101. DOI: 10.1063/1.4755841 |
0.377 |
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2012 |
Ribeirão M, Fonseca LRC, Sadowski T, Ramprasad R. Ab initio calculation of the CdSe/CdTe heterojunction band offset using the local-density approximation-1/2 technique with spin-orbit corrections Journal of Applied Physics. 111. DOI: 10.1063/1.3699054 |
0.304 |
|
2012 |
Pilania G, Gao PX, Ramprasad R. Establishing the LaMnO3 surface phase diagram in an oxygen environment: An ab initio kinetic Monte Carlo simulation study Journal of Physical Chemistry C. 116: 26349-26357. DOI: 10.1021/Jp3083985 |
0.648 |
|
2012 |
Ribeiro M, Ferreira LG, Fonseca LRC, Ramprasad R. CdSe/CdTe interface band gaps and band offsets calculated using spin-orbit and self-energy corrections Materials Science and Engineering B: Solid-State Materials For Advanced Technology. 177: 1460-1464. DOI: 10.1016/J.Mseb.2011.12.044 |
0.303 |
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2012 |
Cardona Quintero Y, Zhu H, Ramprasad R. Adsorption of CH 3S and CF 3S on Pt(111) surface: a density functional theory study Journal of Materials Science. 1-7. DOI: 10.1007/S10853-012-7005-Y |
0.309 |
|
2012 |
Ramprasad R, Kumar V, Fonseca LRC, Tuttle BR. Recent advances in first principles computations in materials research Journal of Materials Science. 47: 7313-7316. DOI: 10.1007/S10853-012-6736-0 |
0.346 |
|
2012 |
Pilania G, Ramprasad R. Dielectric permittivity of ultrathin PbTiO3 nanowires from first principles Journal of Materials Science. 47: 7580-7586. DOI: 10.1007/S10853-012-6411-5 |
0.651 |
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2012 |
Pilania G, Zhu H, Ramprasad R. Applications of Modern Density Functional Theory to Surfaces and Interfaces A Matter of Density: Exploring the Electron Density Concept in the Chemical, Biological, and Materials Sciences. 271-312. DOI: 10.1002/9781118431740.ch11 |
0.613 |
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2011 |
Pilania G, Ramprasad R. Thermodynamics of oxygen chemistry on PbTiO 3 and LaMnO 3 (001) surfaces Materials Research Society Symposium Proceedings. 1309: 45-50. DOI: 10.1557/Opl.2011.731 |
0.606 |
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2011 |
Vijayashankar D, Zhu H, Garg S, Teki R, Ramprasad R, Lane MW, Ramanath G. Atomistic mechanisms of moisture-induced fracture at copper-silica interfaces Applied Physics Letters. 99. DOI: 10.1063/1.3622304 |
0.302 |
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2011 |
Zhu H, Ramprasad R. The stability and work function of TaCxN1-x alloy surfaces Journal of Applied Physics. 109. DOI: 10.1063/1.3580257 |
0.327 |
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2011 |
Wang CC, Ramprasad R. Dielectric properties of organosilicons from first principles Journal of Materials Science. 46: 90-93. DOI: 10.1007/S10853-010-4830-8 |
0.317 |
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2010 |
Doll JD, Pilania G, Ramprasad R, Papadimitrakopoulos F. Oxygen-assisted unidirectional growth of CdSe nanorods using a low-temperature redox process. Nano Letters. 10: 680-5. PMID 20095628 DOI: 10.1021/Nl903843G |
0.572 |
|
2010 |
Huzayyin A, Boggs S, Ramprasad R. Density functional analysis of chemical impurities in dielectric polyethylene Ieee Transactions On Dielectrics and Electrical Insulation. 17: 926-930. DOI: 10.1109/Tdei.2010.5492268 |
0.338 |
|
2010 |
Huzayyin A, Boggs S, Ramprasad R. Quantum mechanical studies of carbonyl impurities in dielectric polyethylene Ieee Transactions On Dielectrics and Electrical Insulation. 17: 920-925. DOI: 10.1109/Tdei.2010.5492267 |
0.338 |
|
2010 |
Pilania G, Ramprasad R. Complex polarization ordering in PbTiO3 nanowires: A first-principles computational study Physical Review B - Condensed Matter and Materials Physics. 82. DOI: 10.1103/PhysRevB.82.155442 |
0.617 |
|
2010 |
Sadowski T, Ramprasad R. Ab initio thermodynamic model to assess stability of heterostructure nanocrystals Applied Physics Letters. 96. DOI: 10.1063/1.3330924 |
0.318 |
|
2010 |
Sadowski T, Ramprasad R. Core/shell CdSe/CdTe heterostructure nanowires under axial strain Journal of Physical Chemistry C. 114: 1773-1781. DOI: 10.1021/Jp907150D |
0.303 |
|
2010 |
Shi N, Ramprasad R. Nanodielectrics for energy storage from first principles computations Acs Symposium Series. 1034: 9-21. DOI: 10.1021/bk-2010-1034.ch002 |
0.319 |
|
2010 |
Pilania G, Ramprasad R. Adsorption of atomic oxygen on cubic PbTiO3 and LaMnO 3 (001) surfaces: A density functional theory study Surface Science. 604: 1889-1893. DOI: 10.1016/J.Susc.2010.07.021 |
0.64 |
|
2010 |
Sadowski T, Ramprasad R. First principles computational study of wurtzite CdTe nanowires Journal of Materials Science. 45: 5463-5467. DOI: 10.1007/S10853-010-4599-9 |
0.315 |
|
2010 |
Stournara ME, Ramprasad R. A first principles investigation of isotactic polypropylene Journal of Materials Science. 45: 443-447. DOI: 10.1007/S10853-009-3960-3 |
0.341 |
|
2009 |
Pilania G, Alpay SP, Ramprasad R. Ab initio study of ferroelectricity in BaTiO3 nanowires Physical Review B - Condensed Matter and Materials Physics. 80. DOI: 10.1103/Physrevb.80.014113 |
0.577 |
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2009 |
Pilania G, Sadowski T, Ramprasad R. Oxygen adsorption on cdSe surfaces: case study of asymmetric anisotropic growth through ab initio computations Journal of Physical Chemistry C. 113: 1863-1871. DOI: 10.1021/Jp807498N |
0.609 |
|
2009 |
Pilania G, Tan DQ, Cao Y, Venkataramani VS, Chen Q, Ramprasad R. Ab initio study of antiferroelectric PbZrO3 (001) surfaces Journal of Materials Science. 44: 5249-5255. DOI: 10.1007/S10853-009-3465-0 |
0.643 |
|
2008 |
Shi N, Ramprasad R. Local properties at interfaces in nanodielectrics: An ab initio computational study Ieee Transactions On Dielectrics and Electrical Insulation. 15: 170-177. DOI: 10.1109/T-Dei.2008.4446748 |
0.406 |
|
2007 |
Sadowski T, Ramprasad R. Stability and electronic structure of CdSe nanorods from first principles Physical Review B - Condensed Matter and Materials Physics. 76. DOI: 10.1103/Physrevb.76.235310 |
0.353 |
|
2007 |
Shi N, Ramprasad R. Intrinsic dielectric properties of phthalocyanine crystals: An ab initio investigation Physical Review B - Condensed Matter and Materials Physics. 75. DOI: 10.1103/Physrevb.75.155429 |
0.35 |
|
2007 |
Shi N, Ramprasad R. Local dielectric permittivity of Hf O2 based slabs and stacks: A first principles study Applied Physics Letters. 91. DOI: 10.1063/1.2822834 |
0.32 |
|
2006 |
Shi N, Ramprasad R. Atomic-scale dielectric permittivity profiles in slabs and multilayers Physical Review B - Condensed Matter and Materials Physics. 74. DOI: 10.1103/Physrevb.74.045318 |
0.386 |
|
2006 |
Shi N, Ramprasad R. Dielectric properties of Cu-phthalocyanine systems from first principles Applied Physics Letters. 89. DOI: 10.1063/1.2339037 |
0.325 |
|
2006 |
Ramprasad R, Tang C. Circuit elements at optical frequencies from first principles: A synthesis of electronic structure and circuit theories Journal of Applied Physics. 100. DOI: 10.1063/1.2226985 |
0.306 |
|
2006 |
Ramprasad R, Shi N. Polarizability of phthalocyanine based molecular systems: A first-principles electronic structure study Applied Physics Letters. 88. DOI: 10.1063/1.2209197 |
0.307 |
|
2006 |
Yu M, Fernando GW, Li R, Papadimitrakopoulos F, Shi N, Ramprasad R. First principles study of CdSe quantum dots: Stability, surface unsaturations, and experimental validation Applied Physics Letters. 88. DOI: 10.1063/1.2209195 |
0.331 |
|
2005 |
Shi N, Ramprasad R. Dielectric properties of ultrathin SiO 2 slabs Applied Physics Letters. 87: 1-3. DOI: 10.1063/1.2150584 |
0.373 |
|
2003 |
Ramprasad R. Phenomenological theory to model leakage currents in metal-insulator-metal capacitor systems Physica Status Solidi (B) Basic Research. 239: 59-70. DOI: 10.1002/Pssb.200303239 |
0.309 |
|
2000 |
Ramprasad R, Fonseca LRC, Von Allmen P. Calculation of the field-emission current from a surface using the Bardeen transfer Hamiltonian method Physical Review B - Condensed Matter and Materials Physics. 62: 5216-5220. DOI: 10.1103/Physrevb.62.5216 |
0.321 |
|
2000 |
Fonseca LRC, Von Allmen P, Ramprasad R. Numerical simulation of the tunneling current and ballistic electron effects in field emission devices Journal of Applied Physics. 87: 2533-2541. DOI: 10.1063/1.372215 |
0.3 |
|
1999 |
Ramprasad R, Von Allmen P, Fonseca LRC. Contributions to the work function: A density-functional study of adsorbates at graphene ribbon edges Physical Review B - Condensed Matter and Materials Physics. 60: 6023-6027. DOI: 10.1103/Physrevb.60.6023 |
0.369 |
|
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