Open postdoc position
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 →
Tag: QM/MM
Will wins ACS Comp OpenEye Outstanding Junior Faculty Award
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 →
Xingpin’s ehyd XAS paper in JACS!
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 polarizable embedding paper published
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!
New postdoc position
Applications are invited for a postdoctoral researcher position in our group to develop polarizable embedding methodology to simulate photoexcited charge-transfer reactions in multichromophoric systems. See the attached flyer for more Continue Reading →
Zhuofan’s FlexiBLE papers published
Zhuofan’s papers on our new FlexiBLE QM/MM method were just published in J. Chem. Phys. FlexiBLE solves the boundary issue in QM/MM simulations when diffusible particles (e.g. solvent) are included Continue Reading →
First grant awarded!
I’m very excited to announce that the group received our first grant! Together with the groups of John Zhang and Yingkai Zhang, our NYU Global Seed Grant will support collaborative Continue Reading →