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Rampi Ramprasad - Publications

Affiliations: 
Chemical Materials and Biomolecular Engineering University of Connecticut, Storrs, CT, United States 
Area:
Materials Science Engineering, Solid State Physics, Physical Chemistry
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138 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
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
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
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
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
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
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
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
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
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
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
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
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
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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