We welcome three new group members: Yichong Lao (1st year graduate student from Biophysics Program), Longbang Liu (1st year graduate student from Chemistry), and Kazuya Okita (a visiting student from Osaka University, Japan)!
Month: December 2023
Oct 2023
Our IGME paper is selected as a Featured Article by JCP! It efficiently models biomolecular dynamics by employing time integrations of memory kernels and avoiding numerical instability in time-dependent memory kernels.
Sept 2023
Our GraphVAMPnets provides an efficient way to find CVs for self-assembly. Graph embeddings ensure structures invariant to permutations and rotations, and the VAMP theory (no detailed-balance requirement) handles insufficient sampling of dissociation transitions. This article …
Sept 2023
Our Latent space Path Clustering (LPC) method can efficiently group parallel kinetic pathways into distinct metastable path channels. It utilizes the variational autoencoder (VAE) to learn the spatial distributions of kinetic pathways and perform path …