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Tag: diabats

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

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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