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Our recent work on the #liquid #structure of superconcentrated mixtures of #WISE and #ionicliquids. The Journal of Physical Chemistry pubs.acs.org/doi/full/10.10…

Decoding the effect of #ether solvent fluorination on the initial #SEI formation in #Lithium metal batteries. The Journal of Physical Chemistry pubs.acs.org/doi/full/10.10…

Good research opportunity #MachineLearning #compchem #phd

Very happy that our The Journal of Physical Chemistry B perspective on modeling long range interactions with LMF theory is out now! 😁 pubs.acs.org/doi/10.1021/ac… We discuss intuitive ways to address challenges with Coulomb interactions while gaining physical insight

Check out our latest publication on long-range ML molecular dynamics. Our SCFNN model learn relevant physics behind electric response and accurately predicts dielectric saturation at higher fields. #compchem #MachineLearning #neuralnetworks The Journal of Physical Chemistry pubs.acs.org/doi/10.1021/ac…

Our recent work in Rick Remsing’s lab explores the coordination between anion rotation and cation diffusion, aka paddle-wheels, in monatomic solid state electrolytes

Unwrapping an early Christmas gift from Rick Remsing…the logo does shine bright 🤩

I am recruiting PhD students Princeton Computer Science interested in ML applications in bio! Our group aims to define new problems for AI in molecular & structural bio. We work at the intersection of many areas incl 3D vision & generative modeling for proteins. Plus we make useful tools!❄️🐉

Now in The Journal of Chemical Physics ! doi.org/10.1063/5.0175…

Our paper on electronic paddle-wheels in solid-state ion conduction is now online at Nature Communications !! 🔋 nature.com/articles/s4146…

Our paper on the effect of Ionic Iiquids in the capacitive performance of water-in-salt electrolyte is out in The Journal of Physical Chemistry

Gfortpy by Robert Farmer enables Python >= 3.7 to call Fortran code compiled by gfortran >= 8 by reading the .mod files it creates. You only need to have your code in a module and compiled as a shared library, with no annotations or other changes needed. github.com/rjfarmer/gfort…

Our new work 🚀 in Rick Remsing lab highlights how electronic paddlewheels modulate time-dependent friction, impacting diffusion in solid-state ionic conductors: arxiv.org/abs/2504.16704 #compchem #MaterialsScience #MachineLearning