Team members

Primary Investigator

Marilyn Gunner


Junjun Mao (currently at Levich Institute)
Yifan Song
Christopher Tang (Honig's Lab), Developer of the nonlinear version

Current team:

Previous members:


Emil Alexov. Developing MCCE and applications to photosynthetic RCs.
He's now a Professor of Physics at Clemson University.

Junjun Mao : Developing MCCE and applying it to cytochrome electrochemistry.
He's now a research associate and systems manager at the Levich Institute at CCNY.

Karin Hauser: Calculating the heme electrochemistry in cytochromes (c, f, b562, b5 etc) and cytochrome c oxidase. She is moving from a Junior Professorship in Frankfort to a permanent position in Aachen (in the mid-west of Germany, ~ 60 km from Cologne.

Roxana Georgesc: The second major MCCE benchmark paper was her work.
She's now an Associate Research Scientist at Rockefeller University.

Grad students

         Minghui Dong (Postdoctorate)

           Xuyu Zhu (Graduate student)

           Max Klein (Research Assistant)
           Edison Castro (Research Aide)
           Jianxun Lu (Graduate Student)
           Musyoka Munyoki (Graduate Student)
           Muhamed Amin (Graduate Student)
           Jorge Tirado (Undergraduate Student)

Yifong Song (Physics): Developing MCCE and applying it to bacteriorhodopsin proton pumping.
He's now with David Baker at the University of Washington.

Jennifer Madeo (Biomedical engineering): Reaction center experiments - does only ubiquinone work as QB?
She finished her MD and is doing a residency and

Jaili Li (Physics) Reaction center experiments - Electron transfer from QA to QB.
She's now an associate professor at the University of Arkansas

Samir Lipovaca: Worked on placing protons in MCCE and on the carotinoid Stark shift.
He's now at the Securities and Exchange Commission.

Qiang Xu (Physics) Reaction center experiments - Electron transfer at low temperatures.
He's now work in the Minor lab at UCSF.

Xinyu Zhang (Physics): Reaction center experiments - mapping the energy landscape for electron transfer.
She's now working at Unilever.

Zhenyu (James) Zhu (Physics): Developing MCCE and applying it to photosynthetic reactions center quinone electrochemistry.
He is now working in finance.


Becier Tapia (Biochemistry): Using MCCE to study the bc1 and b6f complexes.

Jinran Kim
(Physics): Using MCCE to survey the pKs of buried charges in the protein databank.
Now in graduate school at Columbia.

Gennady Khirich (Physics): Worked on calculating ligand binding.
He's now a graduate student at Yale

MCCE mom

Yanjun Yang: Keeping tabs on MCCE code and executables; porting the code to new platforms.
Now working as IT associate at Morgan Stanley