| Development and application of effective pairwise potentials for UO 2 n+, NpO 2 n+, PuO 2 n+, and AmO 2 n+ (n= 1, 2) ions with water V Pomogaev, SP Tiwari, N Rai, GS Goff, W Runde, WF Schneider, ... Physical Chemistry Chemical Physics 15 (38), 15954-15963, 2013 | 59 | 2013 |
| Force field development for actinyl ions via quantum mechanical calculations: an approach to account for many body solvation effects N Rai, SP Tiwari, EJ Maginn The Journal of Physical Chemistry B 116 (35), 10885-10897, 2012 | 49 | 2012 |
| Dynamics of actinyl ions in water: a molecular dynamics simulation study SP Tiwari, N Rai, EJ Maginn Physical Chemistry Chemical Physics 16 (17), 8060-8069, 2014 | 39 | 2014 |
| A molecular dynamics investigation of actinyl–ligand speciation in aqueous solution K Newcomb, SP Tiwari, N Rai, EJ Maginn Physical Chemistry Chemical Physics 20 (23), 15753-15763, 2018 | 18 | 2018 |
| Effect of Molecular Structure on the CO2 Separation Properties of Hydrophobic Solvents Consisting of Grafted Poly Ethylene Glycol and Poly Dimethylsiloxane Units RL Thompson, J Culp, SP Tiwari, O Basha, W Shi, K Damodaran, ... Energy & fuels 33 (5), 4432-4441, 2019 | 10 | 2019 |
| Computational Screening of Physical Solvents for CO2 Pre-combustion Capture W Shi, SP Tiwari, RL Thompson, JT Culp, L Hong, DP Hopkinson, K Smith, ... The Journal of Physical Chemistry B 125 (49), 13467-13481, 2021 | 9 | 2021 |
| Foaming dependence on the interface affinities of surfactant-like molecules SP Tiwari, JA Steckel, M Sarma, J Bryant, CA Lippert, LR Widger, ... Industrial & Engineering Chemistry Research 58 (43), 19877-19889, 2019 | 9 | 2019 |
| Thermodynamics and Speciation of Actinide Materials in the Condensed Phase using Atomistic Simulations SP Tiwari University of Notre Dame, 2015 | 2 | 2015 |
| Creation of Polymer Datasets with Targeted Backbones for Screening of Gas Permeability and Selectivity SP Tiwari, W Shi, S Budhathoki, J Baker, D Hopkinson, J Steckel | 1 | 2023 |
| The Development of Machine Learning, Group Contribution and Molecular Modeling Approach to Screen Physical Solvents for Gas Separation W Shi, M Macala, RL Thompson, S Tiwari, K Resnik, N Siefert, ... 2018 AICHE Annual Meeting, 2018 | 1 | 2018 |
| Creation of Polymer Datasets with Targeted Backbones for Screening of High-Performance Membranes for Gas Separation SP Tiwari, W Shi, S Budhathoki, J Baker, AK Sekizkardes, L Zhu, ... Journal of Chemical Information and Modeling, 2024 | | 2024 |
| Foaming Prediction in Pure Liquids from Dimensionless Numbers Inspired by the Theory of Fluid Behavior for Drops S Tiwari, R Thompson, W Shi, N Siefert, D Hopkinson, J Steckel | | 2023 |
| Computational and Experimental Studies of Selexol Solvent Physical Properties and Its Interactions with H2o, H2, and CO2 DH Wei Shi, Robert Thompson, Jeffrey Culp, Surya Tiwari, Nicholas Siefert ... 2023 AIChE Annual Meeting, 2023 | | 2023 |
| Hydrophobic Alkyl-Ester Physical Solvents for CO2 Removal from H2 Produced from Synthesis Gas JT Culp, W Shi, RL Thompson, SP Tiwari, KP Resnik, L Hong, JA Steckel, ... US Patent App. 17/867,094, 2023 | | 2023 |
| Computational Design of Alkylamine-Functionalized Polymer Sorbents S Tiwari, W Shi, A Sekizkardes, J Steckel National Energy Technology Laboratory (NETL), Pittsburgh, PA, Morgantown, WV …, 2022 | | 2022 |
| Systematic Chem-Informatics and Machine Learning Studies for Gas Permeability and Selectivity in Polymers W Shi, S Tiwari, S Budhathoki, JA Steckel, A Sekizkardes, L Zhu, S Yi, ... 2021 AIChE Annual Meeting, 2021 | | 2021 |
| Integrated Computational Screening and Design of Polymers for Post-combustion Carbon Capture W Shi, A Tran, S Tiwari, S Budhathoki, J Steckel, AK Sekizkardes, S Yi, ... National Energy Technology Laboratory (NETL), Pittsburgh, PA, Morgantown, WV …, 2020 | | 2020 |
| The role of cations in uranyl nanocluster association: a molecular dynamics study K Newcomb, V Bernales, SP Tiwari, L Gagliardi, EJ Maginn Physical Chemistry Chemical Physics 22 (4), 1847-1854, 2020 | | 2020 |
| CO2 Solubility in Organophosphate Physical Solvents Wherein Alkyl Groups Are Replaced with Poly (Ethylene Glycol) Groups R Thompson, JT Culp, SP Tiwari, W Shi, N Siefert, DP Hopkinson | | 2019 |
| Computational Design of Physical Solvents for Gas Separation W Shi, J Culp, R Thompson, SP Tiwari, K Resnik, N Siefert, J Steckel, ... 2019 AICHE Annual Meeting, 2019 | | 2019 |
Wei Shi (石偉)National Energy Technology LaborotoryVerified email at netl.doe.gov
