Yuanqing Wang
- OpenMM 8: Molecular Dynamics Simulation with Machine Learning Potentials
2023/12/28 by Peter Eastman, Raimondas Galvelis, Raúl P. Peláez +22 · 1 voice · 13 citations
Biochemistry, Genetics and Molecular Biology · Materials Science · #Enzyme Structure and Function #Machine Learning in Materials Science #Protein Structure and Dynamics
- The Open Force Field Initiative: Open Software and Open Science for Molecular Modeling
2024/07/11 by Lily Wang, Pavan Kumar Behara, Matthew W. Thompson +7 · 1 voice · 4 citations
Biochemistry, Genetics and Molecular Biology · Chemistry · Materials Science · #Protein Structure and Dynamics #Mass Spectrometry Techniques and Applications #Machine Learning in Materials Science
- RLinf: Flexible and Efficient Large-scale Reinforcement Learning via Macro-to-Micro Flow Transformation
2025/09/19 by Chao Yu, Yuanqing Wang, Yu, Chao +52 · 7 citations
Computer Science · #Artificial Intelligence (cs.AI) #Distributed #FOS: Computer and information sciences #Machine Learning (cs.LG) #Parallel #Reinforcement Learning in Robotics #and Cluster Computing (cs.DC)
- FEAT: Free energy Estimators with Adaptive Transport
2025/04/15 by Jiajun He, He, Jiajun, Yuanqi Du +12 · 1 voice · 4 citations
Materials Science · Physics and Astronomy · #Advanced Thermodynamics and Statistical Mechanics #Machine Learning in Materials Science #Quantum many-body systems #cs.LG #physics.chem-ph #physics.comp-ph #stat.ML
- On the design space between molecular mechanics and machine learning force fields
2025/04/02 by Yuanqing Wang, Kenichiro Takaba, Michael S. Chen +14 · 1 voice · 2 citations
Biochemistry, Genetics and Molecular Biology · Computer Science · Materials Science · #Computational Drug Discovery Methods #Machine Learning in Materials Science #Protein Structure and Dynamics