Jacobson, Leif D.
- Schrödinger-ANI: An Eight-Element Neural Network Interaction Potential with Greatly Expanded Coverage of Druglike Chemical Space
2019/11/22 by Stevenson, James M., Jacobson, Leif D., Zhao, Yutong +5 · 1 citation
#Chemical Physics (physics.chem-ph) #FOS: Computer and information sciences #FOS: Physical sciences #Machine Learning (cs.LG)
- Efficient Long-Range Machine Learning Force Fields for Liquid and Materials Properties
2025/05/09 by John L. Weber, Rishabh D. Guha, Weber, John L. +22 · 4 citations
Chemistry · Materials Science · #Block Copolymer Self-Assembly #Crystallography and molecular interactions #Machine Learning in Materials Science