Publications

Google Scholar profile

• Ning Wang, Development of advanced computational methods for accurate property prediction of fluids: Application to hydrofluorocarbon/ionic liquid mixtures, University of Notre Dame, 2024
• Kalin Baca, Karim Al-Barghouti, Ning Wang, et al., Ionic liquids for the separation of fluorocarbon refrigerant mixtures, Chem. Rev., 2024, 124(9), 5167–5226
• Ning Wang and Edward J. Maginn*, GAFF-based polarizable force field development and validation for ionic liquids, J. Phys. Chem. B, 2024, 128(3), 871–881 (GitHub)
• Ning Wang, Montana N. Carlozo, Eliseo Marin-Rimoldi, Bridgette J. Befort, Alexander W. Dowling, Edward J. Maginn*, Machine learning-enabled development of accurate force fields for refrigerants, J. Chem. Theory Comput., 2023, 19(14), 4546–4558 (GitHub)
• Ning Wang, Ryan S. DeFever, Edward J. Maginn*, Alchemical free energy and Hamiltonian replica exchange molecular dynamics to compute hydrofluorocarbon isotherms in imidazolium-based ionic liquids, J. Chem. Theory Comput., 2023, 19(11), 3324–3335 (GitHub) CBE Outstanding Paper
• Ning Wang, Yong Zhang, Karim S. Al-Barghouti, Rajkumar Kore, Aaron M. Scurto, Edward J. Maginn*, Structure and dynamics of hydrofluorocarbon/ionic liquid mixtures: An experimental and molecular dynamics study, J. Phys. Chem. B, 2022, 126(41), 8309–8321
• Ning Wang, Yong Zhang, Edward J. Maginn*, Molecular dynamics study of the ionic liquid 1-n-hexyl-3-methylimidazolium tris(pentafluoroethyl)trifluorophosphate ([C₆C₁im][FAP]): Force field development and the effect of [FAP]⁻ isomer content on properties, J. Ionic Liq., 2022, 2, 100040 (Journal cover)
• Tianren Zhang, Ning Wang, Robert A. Riggleman*, Failure and mechanical properties of glassy diblock copolymer thin films, Macromolecules, 2022, 55(24), 10880–10890