Hai Lin Publishes Book on Multiscale Modeling and Simulations

Published: March 19, 2024

Hai Lin, Professor of Chemistry, published a book, QM/MM Methods, in the ACS in Focus series published by the American Chemical Society (ACS). Lin’s book serves as an introductory text for graduate students and scientists who are new in the field of multiscale modeling and simulations. The book aims to help researchers navigate through a “hybrid world” where quantum mechanics (QM) and classical molecular mechanics (MM) join forces to provide critical insights into chemical, physical, and biological processes in complex environments, such as enzymatic catalysis, ion solvation, and transport proteins. “I want to help readers enter the field with a good starting position,” said Lin, who is known for his pioneering works in novel QM/MM algorithms that reclassify atoms on-the-fly as quantum or classical, “empowering them to ask the right questions and select the right tools to address these questions.” Here's a link to the book.