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New paper from Herry and Samartha!

Congratulations to Herry and Samartha for their new paper “Molecular simulations of lipid membrane partitioning and translocation by bacterial quorum sensing modulators” which is now out in PLoS ONE. It’s great to see a (former) …

Reid named a Vilas Associate!

Reid was selected a 2021 UW-Madison Vilas Associate, an award that “recognizes new and ongoing research of the highest quality and significance.” Thank you to the Vilas Trust and the Vice Chancellor for Graduate Research …

Jianping highlighted by GLBRC

GRBRC has published a nice interview Jianping Li, who recently joined the group as a Keegstra Fellow. The interview also features some of Jianping’s beautiful paintings!

New paper in Science Advances!

A new paper from the group on a solvent-mediated approach to recycle multilayer waste plastics was recently published in Science Advances! We developed a computational screening methodology to identify suitable solvent systems for the selective …

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.