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 | 42 | 2020 |
Probing Accuracy-Speedup Tradeoff in Machine Learning Surrogates for Molecular Dynamics Simulations F Sun, JCS Kadupitiya, V Jadhao Journal of Chemical Theory and Computation 19 (14), 4606-4618, 2023 | 2 | 2023 |
Shape control of deformable charge-patterned nanoparticles F Sun, NE Brunk, V Jadhao Physical Review E 107 (1), 014502, 2023 | 1 | 2023 |
Elasticity as a control for self-assembling nanoscale building blocks V Jadhao, F Sun Bulletin of the American Physical Society, 2024 | | 2024 |
Uncertainty-aware machine learning surrogates of molecular dynamics simulations F Sun, V Jadhao Bulletin of the American Physical Society, 2024 | | 2024 |
Molecular Dynamics Simulations of Deformable Viral Capsomers LB Nilsson, F Sun, JCS Kadupitiya, V Jadhao Viruses 15 (8), 1672, 2023 | | 2023 |
Simulating soft matter self-assembly using deformable nanoscale building blocks V Jadhao, F Sun, L Nilsson APS March Meeting Abstracts 2023, M03. 011, 2023 | | 2023 |
Multilayered ordered arrays self-assembled from a mixed population of nanoparticles C Faccini de Lima, F Sun, V Jadhao APS March Meeting Abstracts 2023, K16. 013, 2023 | | 2023 |
Sample Size Determination for Machine Learning Surrogates of Molecular Dynamics Simulations F Sun, K Jcs, V Jadhao, FS Team APS March Meeting Abstracts 2023, T60. 008, 2023 | | 2023 |
Shapes of Deformable Charge-patterned Nanoparticles F Sun, N Brunk, V Jadhao APS March Meeting Abstracts 2022, Y17. 011, 2022 | | 2022 |
Machine Learning Molecular Dynamics Simulations for Enhanced Student Learning F Sun, JCS Kadupitiya, G Fox, V Jadhao | | |