New paper from Alex and the Zavala group!

Alex’s latest paper, entitled “Fast predictions of liquid-phase acid-catalyzed reaction rates using molecular dynamics and convolutional neural networks” has been accepted for publication in Chemical Science! This manuscript was  collaboration with Bruce Jiang and Weiqi …

New paper from Atharva and Brad!

A new paper authored by Atharva and Brad, entitled “Predicting Hydrophobicity by Learning Spatiotemporal Features of Interfacial Water Structure: Combining Molecular Dynamics Simulations with Convolutional Neural Networks,” has been published by The Journal of Physical …

Amy wins poster prize

Congratulations to Amy for winning a poster prize at the UW-Madison Computing in Engineering forum! You can hear Amy describe her work in the YouTube video linked below.