Machine learning directed optimization of classical molecular modeling force fields BJ Befort, RS DeFever, GM Tow, AW Dowling, EJ Maginn Journal of Chemical Information and Modeling 61 (9), 4400-4414, 2021 | 54 | 2021 |
Diffusion of CO2/CH4 confined in narrow carbon nanotube bundles W Cao, GM Tow, L Lu, L Huang, X Lu Molecular Physics 114 (16-17), 2530-2540, 2016 | 26 | 2016 |
Fully atomistic molecular dynamics simulations of hydroxyl-terminated polybutadiene with insights into hydroxyl aggregation GM Tow, EJ Maginn Macromolecules 53 (7), 2594-2605, 2020 | 21 | 2020 |
Cross-Linking Methodology for Fully Atomistic Models of Hydroxyl-Terminated Polybutadiene and Determination of Mechanical Properties GM Tow, EJ Maginn Macromolecules 54 (10), 4488-4496, 2021 | 11 | 2021 |
Hydrophilicity effect on CO2/CH4 separation using carbon nanotube membranes: insights from molecular simulation W Cao, L Lu, M Zhou, GM Tow, L Huang, T Yang, X Lu Molecular Simulation 43 (7), 502-509, 2017 | 9 | 2017 |
Predicting melt curves of energetic materials using molecular models GM Tow, JP Larentzos, MS Sellers, M Lísal, JK Brennan Propellants, Explosives, Pyrotechnics 47 (8), e202100363, 2022 | 8 | 2022 |
Evaluating physical properties of the orthorhombic crystal phase of ammonium perchlorate using a Class II force field GM Tow, EJ Maginn The Journal of Chemical Physics 149 (24), 2018 | 8 | 2018 |
Intermolecular interactions in clusters of ethylammonium nitrate and 1-amino-1, 2, 3-triazole S Kim, JA Conrad, GM Tow, EJ Maginn, JA Boatz, MS Gordon Physical Chemistry Chemical Physics 25 (44), 30428-30457, 2023 | 4 | 2023 |
Pore collapse, shear bands, and hotspots using atomistics-consistent continuum models for RDX (1, 3, 5-trinitro-1, 3, 5-triazinane): Comparison with molecular dynamics calculations J Herrin, G Tow, J Brennan, J Larentzos, CR Picu, HS Udaykumar Journal of applied physics 136 (13), 2024 | 1 | 2024 |
Force Field Parameters for Ammonium Perchlorate Validated Using Surface Energies and Applied to Interactions with Polymer Binder IC Yeh, GM Tow The Journal of Physical Chemistry C 127 (37), 18598-18608, 2023 | | 2023 |
Quantum Chemical Modeling of Propellant Degradation JL Galvez Vallejo, GM Tow, EJ Maginn, BQ Pham, D Datta, MS Gordon The Journal of Physical Chemistry A 127 (8), 1874-1882, 2023 | | 2023 |
Morphological Quantification of Shear Bands Using ImageJ GM Tow, JP Larentzos, JK Brennan DEVCOM Army Research Laboratory, ARL-TR-9611, 2022 | | 2022 |
Molecular Models of Energetic Materials GM Tow University of Notre Dame, 2021 | | 2021 |