| Molecular mechanism for azeotrope formation in ethanol/benzene binary mixtures through gibbs ensemble monte carlo simulation D Li, Z Gao, NK Vasudevan, H Li, X Gao, X Li, L Xi The Journal of Physical Chemistry B 124 (16), 3371-3386, 2020 | 17 | 2020 |
| Effects of molecular design parameters on plasticizer performance in poly (vinyl chloride): A comprehensive molecular simulation study D Li, K Panchal, NK Vasudevan, R Mafi, L Xi Chemical Engineering Science 249, 117334, 2022 | 9 | 2022 |
| Molecular Insight into Cellulose Nanocrystals and their Interaction with Cellulosic Oligomers by All-Atom Simulation N Vasudevan | 1 | 2018 |
| Potential of Mean Force of Short‐Chain Surface Adsorption using Non‐Uniform Sampling Windows for Optimal Computational Efficiency NK Vasudevan, D Li, L Xi Macromolecular Theory and Simulations 33 (1), 2300057, 2024 | | 2024 |
| Potential of Mean Force Calculation Using Non-Uniform Sampling Windows for Optimal Computational Efficiency NK Vasudevan, D Li, L Xi | | 2023 |
| Free Energy Calculation with Non-Uniform Windows for Improved Computational Efficiency: A Proof of Concept N Vasudevan, D Li, L Xi 2022 AIChE Annual Meeting, 2022 | | 2022 |
| Interactions of Cellulosic Oligomers with Different Crystallographic Surfaces of Cellulose Nanocrystals through Molecular Simulation N Vasudevan, D Li, L Xi 2022 AIChE Annual Meeting, 2022 | | 2022 |
| Thermodynamic Properties and Molecular Interactions of Azeotropic Mixtures Using Molecular Simulation and Modeling D Li, N Vasudevan, X Li, H Li, X Gao, L Xi 2019 AIChE Annual Meeting, 2019 | | 2019 |
| Surface Interaction between Short-Chain Cellulosic Polymers and Cellulose Nanocrystals from Molecular Simulation N Vasudevan, L Xi 2018 AIChE Annual Meeting, 2018 | | 2018 |
| Optimal Off-Grid Hybrid Options for Power Generation in Remote Indian Villages: HOMER Application and Analysis NK Vasudevan, DR Sudhakar Materials, Energy and Environment Engineering: Select Proceedings of ICACE …, 2017 | | 2017 |
Li XiAssociate Professor, Department of Chemical Engineering, McMaster UniversityVerified email at mcmaster.ca
