Surl-Hee (Shirley) Ahn
Surl-Hee (Shirley) AhnPostdoctoral Scholar
Thesis: “Enhanced Sampling Methods for Kinetics of Bio-Molecules and Application to Triazine Polymers”
Ph.D. Advisor: Prof. E. Darve
Current Position: Postdoctoral Scholar, McCammon & Amaro groups, UCSD
Current Work: “Gaussian Accelerated Molecular Dynamics (GaMD) with the Weighted Ensemble (WE) Method: Improved Enhanced Sampling of Thermodynamics and Kinetics”
Xinqiang Ding
Xinqiang DingPostdoctoral Associate
Thesis title: Methodological Advances for Drug Discovery and Protein Engineering
Thesis advisor: Charles L. Brooks III
Current position: Postdoctoral Associate, Zhang Group, MIT
Current work: Synergizing molecular dynamics and machine learning for free energy calculation and coarse-grained modeling.

James Gaynor
James GaynorPostdoctoral Fellow
Thesis title: “Correlated Electronic and Vibrational Motion: A Direct Perspective Through Multidimensional Electronic-Vibrational Spectroscopy”
Thesis Advisor: Munira Khalil
Current Position: Arnold O. Beckman Postdoctoral Fellow, Leone / Neumark Groups, U.C. Berkeley
Current Work: Ultrafast Electronic Coherence Dynamics of Rydberg Atoms and Solid-State Core-Excitons
Joonho Lee
Joonho LeePostdoctoral Fellow
Thesis title is: “Postmodern Electronic Structure Theory”.
Thesis advisor: Martin Head-Gordon (UC Berkeley).
Current position: “Postdoctoral Fellow, Reichman Group, Columbia University”.
Current work: “Many-body simulation of correlated materials”.
Wan-Lu Li
Wan-Lu LiPostdoctoral Fellow
Thesis title: Chemical bonding and electronic structure of novel metal-containing molecules and materials.
Ph.D advisor: Prof. Jun Li
Current position: postdoctoral fellow, Teresa Head-Gordon’s group at Lawrence Berkeley National Laboratory and UC Berkeley.
Current work: the development of general computational models and methodologies inspired by natural enzymes and applied to broad translational efforts of nanochemistry, heterogeneous catalysis and synthetic metallo-enzymes.
Mohammadreza Nezemi
Mohammadreza NezemiPostdoctoral Fellow
Thesis title: Investigation of (photo) electrocatalytic conversion of dinitrogen to ammonia using hybrid plasmonic nanostructures
Thesis advisor: Prof. Mostafa El-Sayed
Current position: Postdoctoral Fellow, Orlando group, Georgia Tech
Current work: Gas-phase electrochemical system for pure fuel production
Future position: Postdoctoral Fellow, Kim group, Yale University (to be started on July 1, 2021).
Future work: Developing electrochemical cells to produce hydrogen peroxide in complex water matrices