Linking the neural machine translation and the prediction of organic chemistry reactions J Nam, J Kim arXiv preprint arXiv:1612.09529, 2016 | 106 | 2016 |
Enhanced Sampling for Free Energy Profiles with Post-Transition-State Bifurcations J Nam, YJ Jung Journal of Chemical Theory and Computation 19 (10), 2735-2743, 2023 | 3 | 2023 |
Learning collective variables for protein folding with labeled data augmentation through geodesic interpolation S Yang, J Nam, JCB Dietschreit, R Gómez-Bombarelli arXiv preprint arXiv:2402.01542, 2024 | 2 | 2024 |
Thermodynamic identities with sunray diagrams JH Kim, J Nam European Journal of Physics 42 (3), 035101, 2021 | 2 | 2021 |
Benchmarking predictions of near-infrared absorption with physics-based and machine learning methods KP Greenman, RX Wang, J Nam, A Subramanian, J Ruža, JF Joung, ... Optical Property Prediction and Molecular Discovery through Multi-Fidelity …, 2024 | | 2024 |
Interpolation and differentiation of alchemical degrees of freedom in machine learning interatomic potentials J Nam, R Gómez-Bombarelli arXiv preprint arXiv:2404.10746, 2024 | | 2024 |
Generative acceleration of molecular dynamics simulations for solid-state electrolytes J Nam, S Liu, G Winter, R Gomez-Bombarelli ICML'24 Workshop ML for Life and Material Science: From Theory to Industry …, 0 | | |