| LiquidLib: A comprehensive toolbox for analyzing classical and ab initio molecular dynamics simulations of liquids and liquid-like matter with applications to neutron … NP Walter, A Jaiswal, Z Cai, Y Zhang Computer Physics Communications 228, 209-218, 2018 | 55 | 2018 |
| Impact of shape persistence on the porosity of molecular cages TP Moneypenny, NP Walter, Z Cai, YR Miao, DL Gray, JJ Hinman, S Lee, ... Journal of the American Chemical Society 139 (8), 3259-3264, 2017 | 39 | 2017 |
| Product distribution from precursor bite angle variation in multitopic alkyne metathesis: evidence for a putative kinetic bottleneck TP Moneypenny, A Yang, NP Walter, TJ Woods, DL Gray, Y Zhang, ... Journal of the American Chemical Society 140 (17), 5825-5833, 2018 | 38 | 2018 |
| Comparative studies of the structural and transport properties of molten salt FLiNaK using the machine-learned neural network and reparametrized classical forcefields SC Lee, Y Zhai, Z Li, NP Walter, M Rose, BJ Heuser The Journal of Physical Chemistry B 125 (37), 10562-10570, 2021 | 26 | 2021 |
| Atomic dynamics of metallic glass melts and studied by quasielastic neutron scattering P Luo, A Jaiswal, Y Zhai, Z Cai, NP Walter, L Zhou, D Ding, M Liu, R Mills, ... Physical Review B 103 (22), 224104, 2021 | 3 | 2021 |
| Understanding long timescale phenomena in atomic systems from accelerated molecular simulation methods NP Walter University of Illinois at Urbana-Champaign, 2019 | 1 | 2019 |
| Direct energy landscape sampling of the homogeneous nucleation and crystal growth of a model liquid NP Walter University of Illinois at Urbana-Champaign, 2016 | 1 | 2016 |
| All-atom Metadynamics Simulations of the Hierarchical Folding Dynamics of Proteins on the Timescale of Seconds N Walter, Y Zhang APS March Meeting Abstracts 2019, B57. 006, 2019 | | 2019 |
| All-atom Metadynamics Simulations of the Hierarchical Folding Dynamics of Proteins on the Timescale of Seconds N Walter, Y Zhang APS March Meeting Abstracts 2018, P57. 007, 2018 | | 2018 |
| Protein Folding and Unfolding Dynamics from Direct Energy Landscape Sampling Simulations N Walter, Y Zhang APS March Meeting Abstracts 2017, K6. 005, 2017 | | 2017 |
| Homogenous Nucleation and Crystal Growth in a Model Liquid from Direct Energy Landscape Sampling Simulation N Walter, Y Zhang APS March Meeting Abstracts 2016, K36. 005, 2016 | | 2016 |
| Slow Relaxations of Supercooled Water Determined by Energy Landscape Sampling N Walter, Y Zhang APS March Meeting Abstracts 2015, P1. 002, 2015 | | 2015 |
