Welcome to Yuanxi Wang’s Homepage!

I am a computational materials theorist at the Penn State 2D Crystal Consortium – Material Innovation platform (2DCC-MIP), devoted to developing materials theory in 2D layered nanomaterials. I employ methods ranging from many-body per turbation theory, density functional theory, to empirical reactive forcefields to study optical response, electronic structure, and the atomic-scale kinetics of growth and post-growth processing.



Oct 07, 2018 Raman response with exciton effects published

Oct 04, 2017 Origami-inspired programmable manipulation of 2D materials published (featured in Nanowerk spotlight)

Sep 12, 2017 Raman response of ReS2 published

Aug 28, 2017 Finite-length grain boundaries published (press release)

Apr 13, 2017 Defect coupling in WS2 published

Apr 01, 2017 Optical signature of vacancies in WS2 published (press release)

Mar 09, 2017 Double resonance Raman of MoS2 published

Oct 14, 2016 Striping order in WxMo1–xS2 alloy published (press release)

Sep 07, 2014 Acid intercalation of graphite published (press release)

Jul 02, 2014 Nonlinear optical response of WS2 published