| Simulation of charged systems in heterogeneous dielectric media via a true energy functional V Jadhao, FJ Solis, M Olvera de la Cruz Physical review letters 109 (22), 223905, 2012 | 96 | 2012 |
| Probing large viscosities in glass-formers with nonequilibrium simulations V Jadhao, MO Robbins Proceedings of the National Academy of Sciences 114 (30), 7952, 2017 | 87 | 2017 |
| Ionic structure in liquids confined by dielectric interfaces Y Jing, V Jadhao, JW Zwanikken, M Olvera de la Cruz The Journal of Chemical Physics 143 (19), 194508, 2015 | 75 | 2015 |
| Learning everywhere: Pervasive machine learning for effective high-performance computation G Fox, JA Glazier, JCS Kadupitiya, V Jadhao, M Kim, J Qiu, JP Sluka, ... 2019 IEEE International Parallel and Distributed Processing Symposium …, 2019 | 65 | 2019 |
| Rheological properties of liquids under conditions of elastohydrodynamic lubrication V Jadhao, MO Robbins Tribology Letters 67, 66, 2019 | 58 | 2019 |
| A variational formulation of electrostatics in a medium with spatially varying dielectric permittivity V Jadhao, FJ Solis, M Olvera de la Cruz The Journal of chemical physics 138, 054119, 2013 | 56 | 2013 |
| Machine learning surrogates for molecular dynamics simulations of soft materials JCS Kadupitiya, F Sun, G Fox, V Jadhao Journal of Computational Science 42, 101107, 2020 | 50 | 2020 |
| Electrostatics-driven shape transitions in soft shells V Jadhao, CK Thomas, M Olvera de la Cruz Proceedings of the National Academy of Sciences 111 (35), 12673-12678, 2014 | 42 | 2014 |
| Solving Newton’s equations of motion with large timesteps using recurrent neural networks based operators JCS Kadupitiya, GC Fox, V Jadhao Machine Learning: Science and Technology 3 (2), 025002, 2022 | 39* | 2022 |
| Iterative Monte Carlo for quantum dynamics V Jadhao, N Makri The Journal of Chemical Physics 129, 161102, 2008 | 35 | 2008 |
| Machine learning for parameter auto-tuning in molecular dynamics simulations: Efficient dynamics of ions near polarizable nanoparticles JCS Kadupitiya, GC Fox, V Jadhao The International Journal of High Performance Computing Applications, 2020 | 33 | 2020 |
| Machine learning for performance enhancement of molecular dynamics simulations JCS Kadupitiya, GC Fox, V Jadhao International Conference on Computational Science, 116-130, 2019 | 28 | 2019 |
| Coulomb energy of uniformly charged spheroidal shell systems V Jadhao, Z Yao, CK Thomas, M Olvera de la Cruz Physical Review E 91, 032305, 2015 | 27 | 2015 |
| Linker-mediated Assembly of Virus-like Particles into Ordered Arrays via Electrostatic Control NE Brunk, M Uchida, B Lee, M Fukuto, L Yang, T Douglas, V Jadhao ACS Applied Bio Materials 2 (5), 2192-2201, 2019 | 26 | 2019 |
| Free-energy functionals of the electrostatic potential for Poisson-Boltzmann theory V Jadhao, FJ Solis, M Olvera de la Cruz Physical Review E 88, 022305, 2013 | 23 | 2013 |
| Probing the rheological properties of liquids under conditions of elastohydrodynamic lubrication using simulations and machine learning JCS Kadupitiya, V Jadhao Tribology Letters 69 (3), 82, 2021 | 21 | 2021 |
| Ionic structure and decay length in highly concentrated confined electrolytes N Anousheh, FJ Solis, V Jadhao AIP Advances 10 (12), 2020 | 21 | 2020 |
| Modeling the temporally constrained preemptions of transient cloud vms JCS Kadupitige, V Jadhao, P Sharma Proceedings of the 29th International Symposium on High-Performance Parallel …, 2020 | 20 | 2020 |
| Generating true minima in constrained variational formulations via modified Lagrange multipliers FJ Solis, V Jadhao, M Olvera de la Cruz Physical Review E 88, 053306, 2013 | 19 | 2013 |
| Molecular dynamics simulations on cloud computing and machine learning platforms P Sharma, V Jadhao 2021 IEEE 14th International Conference on Cloud Computing (CLOUD), 751-753, 2021 | 18 | 2021 |
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