Image from iOS.jpg

Group Photo taken on Jan 15th, 2019

Group Photo taken on June 5th, 2017


Lee-Ping Wang - Group Leader

B.A. Physics, U.C. Berkeley, 2002-2006
Ph.D. Physical Chemistry, MIT, 2006-2011
Postdoc, Physical Chemistry, Stanford, 2011-2015
Assistant Professor, Physical Chemistry, U.C. Davis, 2015-

Curriculum vitae (updated 9/21/2017)

Click to visit Faculty Page

Yudong (Bruce) Qiu - Postdoctoral Researcher


B.S. Chemistry, Nanjing University, 2011
Ph.D. Physical Chemistry, The University of Georgia, 2011-2015
Postdoc, Physical Chemistry, UC Davis, 2015-

Curriculum vitae  Click to visit Yudong's Page

Water desalination studies using quantum chemistry calculations and molecular dynamics simulations; Force field model development; Trajectory analysis and visualization tools

Marshall Hutchings - Ph.D. Student


B.S. Chemistry, Brigham Young University, 2015
Ph.D. student in Physical Chemistry, UC Davis, 2015-

Marshall is interested in method development and in using molecular dynamics to discover minimum-energy structures.

Nanhao Chen - Ph.D. Student


B.S. Pharmaceutical Science, Sun Yat-sen University, 2009-2013
M.S. Medicinal Chemistry, Sun Yat-sen University, 2013-2016
Ph.D. student in Physical Chemistry, UC Davis, 2016-

Nanhao is focusing on bio-molecular simulations and quantum chemistry calculations, particularly the evaluation of the protein conformational change and the mechanism of the enzyme catalytic reactions. He is also interested in mathematics and statistics.

Lisa Gong - Ph.D. Student


B.S. Chemical Engineering, U.C. Davis, 2010-2014
Ph.D. student in Physical Chemistry, U.C. Davis, 2016-

Interested in using the nanoreactor to study the oxidation mechanism of levulinic acid, including the initial discovery, smoothing and refinement of reaction pathways. Applying molecular dynamics to study substituted carbohydrates.

Hyesu Jang - Ph.D. Student


B.A. Chemistry, Ewha Womans University, 2009-2013
M.S. Physical Chemistry, Ewha Womans University, 2013-2015
Ph.D. student in Physical Chemistry, UC Davis, 2016-

Interested in electronic structure theory and electrochemical catalytic reactions. Currently using computational chemistry methods based on quantum chemistry for finding the mechanisms of chemical reactions, mainly CO2 reduction reaction.

Zhecheng He - Ph.D. Student


B.S. Chemistry, Zhejiang University, 2014-2018
Ph.D. student in Physical Chemistry, UC Davis, 2018-

Zhecheng is interested in using the ab initio nanoreactor to develop new mechanistic knowledge, focusing on C-C bond formation in methanol-to-olefin reactions.

Nathan Yoshino - Ph.D. Student


B.S. Chemistry, The Ohio State University, 2014-2018
Ph.D. student in Physical Chemistry, UC Davis, 2018-

Nathan is interested in the development of methods to discover and refine reaction pathways and applying the ab initio nanoreactor to study mechanisms of diphosphorus reactivity.

Jesi Lee - Ph.D. Student (joint with Fiehn Lab)


B.S. Biochemistry and Molecular Cell Biology, U.C. Davis, 2012
M.S. Biochemistry, San Francisco State University, 2018
Ph.D. student in Biophysics, U.C. Davis, 2018-

Jesi is interested in using ab initio and semiempirical molecular dynamics to simulate collision-induced dissociation for improving in silico mass spectrometry libraries.

Herman Dhillon - Undergraduate student, UC Davis '20

I'm investigating the minimum-energy configurations and reactivity of water-hydride anion clusters using ab initio molecular dynamics.



Paris Keighley - Undergraduate Student, UC Davis '20

I'm researching the gas-phase conformations of different glycopeptide isomers and whether it is possible to differentiate them in ion mobility mass spectrometry.




Johnson Liu - Undergraduate student, University of the Pacific '18 (Summer 2016 REU student)

I'm currently working on methods to detect reaction events more efficiently in ab initio molecular dynamics simulations.



Minh Nguyen - Undergraduate student, UC Davis '19

I'm interested in renewable energy and currently focusing on thermodynamic hydricity calculations.



Hannah Reeves - Undergraduate Student, UC Davis '20

I’m using molecular dynamics simulation to study how the conformations of carbohydrates are influenced by chemical modifications.


John Stoppelman - Undergraduate Student, Loras College '18 (Summer 2017 REU student)

Interested in using quantum chemistry and molecular dynamics simulations to study bio-molecules, mainly proteins and their folding dynamics. Currently developing force-field parameters for phosphorylated amino acids.


Lauren Younger - Undergraduate Student, Northern Arizona University '20
(Summer 2018 REU student)

I'm studying the effects of counterions and electrolytes on redox potential and CO2 reduction mechanisms.


Brian Yuen - Undergraduate Student, UC Davis '19

I'm currently developing a simulation workflow for glycoprotein isomers, and hope to look deeper into protein structure and function in the future.

Ruimeng Wang - Undergraduate Student, U.C. Davis ’21

I’m interested in studying the mechanism of electrochemical conversion of nitrogen gas to ammonia with molecular catalysts.

Former Group Members


Zackery Gruey '17
Muhimbo Karangizi '20