@NYU Shanghai
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 →
Xingpin’s paper on the X-ray absorption spectrum of the hydrated electron has just been published in JACS! Read it here: doi.org/10.1021/jacs.2c07572
Xiao and Alexander’s paper on polarizable embedding methods for describing conical intersections in solution is now published in JCTC: doi.org/10.1021/acs.jctc.2c00662. Congrats to them both!
Amiel’s paper, Diabatic Many-Body Expansion: Development and Application to Charge-Transfer Reactions, was published in the Journal of Chemical Theory and Computation: https://pubs.acs.org/doi/10.1021/acs.jctc.0c01231 Congrats on his first first-author paper – here’s Continue Reading →