| Biological sequence design with gflownets M Jain, E Bengio, A Hernandez-Garcia, J Rector-Brooks, BFP Dossou, ... International Conference on Machine Learning, 9786-9801, 2022 | 102 | 2022 |
| Electronic noise due to temperature differences in atomic-scale junctions OS Lumbroso, L Simine, A Nitzan, D Segal, O Tal Nature 562 (7726), 240-244, 2018 | 95 | 2018 |
| Vibrational cooling, heating, and instability in molecular conducting junctions: full counting statistics analysis L Simine, D Segal Physical Chemistry Chemical Physics 14 (40), 13820-13834, 2012 | 90 | 2012 |
| Path-integral simulations with fermionic and bosonic reservoirs: Transport and dissipation in molecular electronic junctions L Simine, D Segal The Journal of Chemical Physics 138 (21), 2013 | 80 | 2013 |
| Non-equilibrium spin-boson model: Counting statistics and the heat exchange fluctuation theorem L Nicolin, D Segal The Journal of chemical physics 135 (16), 2011 | 70 | 2011 |
| Quantum fluctuation theorem for heat exchange in the strong coupling regime L Nicolin, D Segal Physical Review B 84 (16), 161414, 2011 | 57 | 2011 |
| Direct observation of backbone planarization via side-chain alignment in single bulky-substituted polythiophenes D Raithel, L Simine, S Pickel, K Schötz, F Panzer, S Baderschneider, ... Proceedings of the National Academy of Sciences 115 (11), 2699-2704, 2018 | 50 | 2018 |
| Amplification of non‐Markovian decay due to bound state absorption into continuum S Garmon, T Petrosky, L Simine, D Segal Fortschritte der Physik 61 (2‐3), 261-275, 2013 | 48 | 2013 |
| Relating Chromophoric and Structural Disorder in Conjugated Polymers L Simine, PJ Rossky The Journal of Physical Chemistry Letters 8 (8), 1752-1756, 2017 | 38 | 2017 |
| In situ optical spectroscopy of crystallization: One crystal nucleation at a time O Urquidi, J Brazard, N LeMessurier, L Simine, TBM Adachi Proceedings of the National Academy of Sciences 119 (16), e2122990119, 2022 | 30 | 2022 |
| Predicting optical spectra for optoelectronic polymers using coarse-grained models and recurrent neural networks L Simine, TC Allen, PJ Rossky Proceedings of the National Academy of Sciences 117 (25), 13945-13948, 2020 | 27 | 2020 |
| Landau-Zener transitions mediated by an environment: Population transfer and energy dissipation A Dodin, S Garmon, L Simine, D Segal The Journal of Chemical Physics 140 (12), 2014 | 27 | 2014 |
| Can Seebeck coefficient identify quantum interference in molecular conduction? L Simine, WJ Chen, D Segal The Journal of Physical Chemistry C, 2015 | 26 | 2015 |
| Electron transport in nanoscale junctions with local anharmonic modes L Simine, D Segal The Journal of Chemical Physics 141 (1), 2014 | 17 | 2014 |
| Fluorescent proteins detect host structural rearrangements via electrostatic mechanism L Simine, H Lammert, L Sun, JN Onuchic, PJ Rossky Journal of the American Chemical Society 140 (4), 1203-1206, 2018 | 15 | 2018 |
| E2EDNA: Simulation Protocol for DNA Aptamers with Ligands M Kilgour, T Liu, B Walker, P Ren, L Simine Journal of Chemical Information and Modeling 61 (9), 4139–4144, 2021 | 10 | 2021 |
| Thermal conductance of the Fermi-Pasta-Ulam chains: Atomic to mesoscopic transition L Nicolin, D Segal Physical Review E 81 (4), 040102, 2010 | 10 | 2010 |
| Generating multiscale amorphous molecular structures using deep learning: a study in 2D M Kilgour, N Gastellu, DYT Hui, Y Bengio, L Simine The Journal of Physical Chemistry Letters 11 (20), 8532-8537, 2020 | 9 | 2020 |
| Nanometals templated by tobacco mosaic virus coat protein with enhanced catalytic activity Y Pan, AS Blum, L Simine, J Mauzeroll Applied Catalysis B: Environmental 298, 120540, 2021 | 7 | 2021 |
| Diversifying design of nucleic acid aptamers using unsupervised machine learning S Moussa, M Kilgour, C Jans, A Hernandez-Garcia, M Cuperlovic-Culf, ... The Journal of Physical Chemistry B 127 (1), 62-68, 2022 | 2 | 2022 |
