Mathew D. Halls

机构：Schrodinger (United States), Schrodinger (United States) · ORCID：0000-0001-8989-8934

发表论文 173 篇 · 总被引 7019 次 · h-index 37

代表论文

• Leveraging high-throughput molecular simulations and machine learning for the design of chemical mixtures (2025 · npj Computational Materials · 被引 14)
• Machine learning-based design of pincer catalysts for polymerization reaction (2024 · Journal of Catalysis · 被引 7)
• Efficient Long-Range Machine Learning Force Fields for Liquid and Materials Properties (2025 · arXiv (Cornell University) · 被引 6)
• Enantioselective Transfer Hydrogenation of α-Methoxyimino-β-keto Esters (2024 · The Journal of Organic Chemistry · 被引 6)
• Exploring Molecules with Low Viscosity: Using Physics-Based Simulations and De Novo Design by Applying Reinforcement Learning (2024 · Chemistry of Materials · 被引 3)
• Evidence for significant multi-Li+ clustering in common lithium-ion battery electrolytes (2025 · ChemRxiv · 被引 1)