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Our own Zekun Chen Zekun Chen is one of the authors of this breakthrough in materials simulations with #MachineLearning

Congratulations to Bohan Li for receiving the best presentation award at the undergraduate Larock conference #chemistry UC Davis Department of Chemistry

Amazing end of the year for the group with a shower of awards! Tatiana Mamani received the Lakshmi Raman summer research award, Maggie Berrens the Outstanding Dissertation award, Zekun Chen the Volman Fellowship, and Tonybill Chan the Peter Rock Grad Fellowship. UC Davis Department of Chemistry

In this new open-access paper, we reveal how quantum delocalization of protons affects the electronic structure of water and ice, making two systems with a very different structure (a solid and a liquid) have similar fundamental energy gap Nanotheory @UCD pubs.acs.org/doi/full/10.10…

New intercalation tellurides synthesized by Kirill Kovnir Lab with ultralow thermal conductivity. This is part of the PhD work of Arka Sarkar who recently graduated Iowa State University Calculations by Frank Cerasoli Nanotheory @UCD UC Davis Department of Chemistry pubs.acs.org/doi/10.1021/ac…

After a long journey, our work on atomic decoration of large crystals with Monte Carlo on #MachineLearning potential energy surfaces is out in AIP Publishing JCP. Try the site permutation code on our GitHub github.com/nanotheorygrou… pubs.aip.org/aip/jcp/articl…

David Chandler said he would believe that the liquid-liquid phase transition in supercooled water is first-order when he sees a moving interface between the LDL and HDL. Unfortunately, David is not with us anymore, but we got the interface. researchsquare.com/article/rs-465…

Oh, I see my picture... Thanks to my amazing grad students who nominated me even claiming that I am patient... sometimes.

I'll be at the Science Café later this evening... Big thanks to @shawshankrxn for organizing and UC Davis Letters and Science for the support

We have written a tutorial manuscript about using GPUMD, TDEP, and kALDo together to get accurate temperature-dependent thermal conductivity and elastic properties. Great work by Dylan Folkner (first paper!) Zekun Chen Florian Knoop Giuseppe Barbalinardo Nanotheory @UCD

We made ipi-code.org faster, but we also want to make it friendlier and ever more useful. Here's an opportunity to let us know what are your most pressing needs so we can implement s'more!

Our work is featured in this nice article by Greg Watry on #MachineLearning in #science

This paper contributes to a Special Issue for the 40-year anniversary of the Max Planck Institute for Polymer Research, Mainz Max Planck Society

A shout-out to Alex, Connor and Eric Pop for putting together the results of this collaboration. I want to highlight Carlos Polanco's Nanotheory @UCD contribution to the atoms-to-transistor part of this work.

Congratulations to Tatiana for her DOE Office of Science-SGSR fellowship. She'll study defects in oxides for water splitting at Lawrence Livermore National Laboratory. More details in the article by g.d.watry UC Davis Letters and Science lettersandsciencemag.ucdavis.edu/science-techno…

📢 New #preprint describing our community effort to share #plumed tutorials arxiv.org/abs/2412.03595 ! Explore the tutorials at plumed-tutorials.org

Excited to see our work on multiscale thermal modeling of transistors and circuits featured in Nature Electronics. Alex Gabourie (DeepSim) will present at #IEDM2024 ieee iedm. Collaboration with Eric Pop funded by DARPA nature.com/articles/s4192…

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