In my research I am currently concerned with applications of molecular dynamics (MD) in biophysics and the origin of techniques for computing the free energy of complex (bio)molecules. These include thermodynamic integration, alchemical free energy perturbation, and umbrella sampling, techniques whose origin I propose to reconstruct through interactions with some of the key pioneers directly involved in their emergence. I work on the history of both Western and Chinese computational physics and cultivate research collaborations with the University of Chicago, CECAM (Centre Européen de Calcul Atomique et Moléculaire) and Harvard University.
People employed in my group at Peking University:
邓妙怡 (Ph.D. Peking University ’22), postdoc, 2022-
雷煜, Ph.D. student, 2022-