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Tag: excited states

Open postdoc position

Posted on July 9, 2025 by William James Glover

Applications are invited for a postdoctoral position in the group of Prof. William Glover at NYU Shanghai. A range of projects are available related to the excited-state dynamics of complex Continue Reading →

Posted in News | Tagged China, Computational Chemistry, electronic structure, excited states, jobs, machine learning, open position, postdoc, QM/MM, Shanghai, Theoretical Chemistry

Amiel’s diabatic gradients paper on cover of JCP!

Posted on June 2, 2023 by William James Glover

Congratulations to Amiel on his recent paper on diabatic gradients making the cover of The Journal of Chemical Physics. We expect this technology to find broad use in Machine-learned potentials Continue Reading →

Posted in News | Tagged diabats, electronic structure, excited states, paper, publication

Amiel’s diabatic gradients paper accepted

Posted on March 20, 2023 by William James Glover

Amiel’s paper on diabatic gradients has just been accepted by J. Chem. Phys.. Preprint: doi.org/10.26434/chemrxiv-2023-rbv43 This opens the door to some interesting developments, including towards the ability to solve the Continue Reading →

Posted in News | Tagged diabats, electronic structure, excited states, publication, student | Leave a reply

Will wins ACS Comp OpenEye Outstanding Junior Faculty Award

Posted on November 18, 2022 by William James Glover

Thrilled to announce that I am a winner of the Spring 2023 ACS OpenEye Outstanding Junior Faculty Award in Computational Chemistry. I’ll be presenting the work on “Conical intersections in Continue Reading →

Posted in News | Tagged Award, excited states, Polarizable, QM/MM

Yuanming’s paper in Nature Communications!

Posted on November 18, 2022 by William James Glover

Just out in Nature Communications: In collaboration with Mark Tuckerman’s group, we show how to machine learn a general Hohenberg-Kohn theorem for excited states. Congrats to Yuanming on his first Continue Reading →

Posted in News | Tagged artificial intelligence, DFT, electronic structure, excited states, machine learning, publication, student

News

  • NYU Shanghai PhD Program Open for application + Online Info Session
  • Will to receive tenure and promotion!
  • Yuanming graduates!
  • Amiel’s diabatic gradients paper on cover of JCP!
  • Amiel graduates, starts postdoc fellowship at Stanford!
  • Xingpin graduates!
  • Will wins ACS Comp OpenEye Outstanding Junior Faculty Award
  • Yuanming’s paper in Nature Communications!
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