Kehang Han
Publications by Year
Research Areas
Machine Learning in Materials Science, Catalysis and Oxidation Reactions, Computational Drug Discovery Methods, Topic Modeling, Multimodal Machine Learning Applications
Most-Cited Works
- → Reaction Mechanism Generator v3.0: Advances in Automatic Mechanism Generation(2021)277 cited
- → RT-2: Vision-Language-Action Models Transfer Web Knowledge to Robotic Control(2023)264 cited
- → Self-Evolving Machine: A Continuously Improving Model for Molecular Thermochemistry(2019)69 cited
- → Comparison of catalytic combustion of carbon monoxide and formaldehyde over Au/ZrO2 catalysts(2010)49 cited
- → An Extended Group Additivity Method for Polycyclic Thermochemistry Estimation(2018)45 cited
- → Plex: Towards Reliability using Pretrained Large Model Extensions(2022)38 cited
- → Systematic optimization model and algorithm for binding sequence selection in computational enzyme design(2013)38 cited
- → On-the-fly pruning for rate-based reaction mechanism generation(2017)21 cited
- → Reversible encapsulation of lysozyme within mPEG-b-PMAA: experimental observation and molecular dynamics simulation(2013)19 cited