| Assessing the quality of molecular simulations for vapor–liquid equilibria: An analysis of the TraPPE database BL Eggimann, Y Sun, RF DeJaco, R Singh, M Ahsan, TR Josephson, ... Journal of Chemical & Engineering Data 65 (3), 1330-1344, 2019 | 48 | 2019 |
| Open‐source molecular modeling software in chemical engineering focusing on the Molecular Simulation Design Framework PT Cummings, CR Iacovella, A Ledeczi, E Jankowski, A Jayaraman, ... John Wiley & Sons, Inc., 2021 | 37 | 2021 |
| Role of inertia and thixotropy in start-up flows of aging soft materials: Transient dynamics and shear banding in a rate-controlled flow field R Singh, A Jain, L Kushwaha, V Shankar, YM Joshi Journal of Rheology 62 (4), 1001-1016, 2018 | 19 | 2018 |
| Partial molar properties from molecular simulation using multiple linear regression TR Josephson, R Singh, MS Minkara, EO Fetisov, JI Siepmann Molecular Physics 117 (23-24), 3589-3602, 2019 | 14 | 2019 |
| Exploring the Reproducibility of Molecular Simulations Using the Molecular Simulation Design Framework (MoSDeF) NC Craven, R Singh, CD Quach, CR Iacovella, J Siepmann, C McCABE, ... 2023 AIChE Annual Meeting, 2023 | | 2023 |
| Structure and Dynamics of Water-in-Salt Litfsi Electrolytes from First-Principles Molecular Dynamics Simulations R Singh, X Lin, Y Zhang, E Maginn, P Cummings, J Siepmann 2022 AIChE Annual Meeting, 2022 | | 2022 |
| Workflow Development for First-Principles Molecular Simulations in CP2K R Singh, C Bunner, T Josephson, R Matsumoto, P Cummings, ... 2021 AIChE Annual Meeting, 2021 | | 2021 |
| The Molecular Simulation Design Framework (MoSDeF) Project: A Collaboration Towards Transparent, Reproducible, Usable By Others, Extensible (TRUE) Simulations J Gilmer, C Quach, R Matsumoto, P Shamaprasad, RS DeFever, R Singh, ... 2021 AIChE Annual Meeting, 2021 | | 2021 |
J. Ilja SiepmannDepts. of Chemistry and of Chem. Eng. & Mats. Sci. and Chemical Theory Center, U. MinnesotaVerified email at umn.edu
