People

Principal Investigator

Michael Shirts
ude.ainigriv@strihs.leahcim

Education:
Ph.D. Stanford University (2005)
A.B. Harvard University (1999)

Research:
Computer simulations of molecular phenomena, molecular property prediction, improving utility and reliability of simulation software, materials design in biological and soft condensed matter systems.

Curriculum Vitae

Google Scholar Profile

Graduate Students

Brittany Bruns
ude.ainigriv@ru9zsb

Education:
Ph.D. University of Virginia (Candidate)
B.S. University of Tulsa (2012)

Research:
Force field parameterization and simulation of solids

Eric Dybeck
ude.ainigriv@db4dce

Education:
Ph.D. University of Virginia (Candidate)
B.S. Bucknell University (2011)

Research:
Polymorph stability in crystalline solids

Levi Naden
ude.ainigriv@cd8nl

Education:
Ph.D. University of Virginia (Candidate)
B.S. Kansas State University (2010)

Research:
Molecular design methods

Tyler Prillaman
ude.ainigriv@ck4ptj

Education:
Ph.D. University of Virginia (Candidate)
B.S. Virginia Tech (2014)

Research:
Molecular mechanisms of small molecule adhesion to blood proteins

Natalie Scheiber
ude.ainigriv@dk5spn

Education:
Ph.D. University of Virginia (Candidate)
B.S. Vanderbilt (2014)

Research:
Classical molecular simulation with changing chemical states

Kai Wang
ude.ainigriv@rc8wk

Education:
Ph.D. University of Virginia (Candidate)
B.S. East China School of Science and Technology (2009)

Research:
Drug resistance and receptor flexibility

Undergraduate Students

Drew Biedermann
ude.ainigriv@th4bma

Education:
B.S. Chemical Engineering, University of Virginia (2017)

Research:
Salt transport in polymer membranes

Saehee Jung
ude.ainigriv@cn4js

Education:
B.S. Chemical Engineering, University of Virginia (2018)

Research:
Protein binding to human serum albumen

Alex Yang
ude.ainigriv@zn3yha

Education:
B.S. Chemical Engineering, University of Virginia (2016)

Research:
Understanding the 3D structure of lacritin

Group Alumni

Joe Basconi

Education:
Ph.D. University of Virginia (2015)
B.S. University of Notre Dame (2009)

Research:
Protein transport in chromatographic materials

Current:
Amgen

Jacob Rosenthal

Education:
B.S. Chemical Engineering, University of Virginia (2015)

Research:
Automation of simulation preparation software

Mitch Slovin

Education:
B.S. Chemical Engineering, University of Virginia (2015)

Research:
Dynamics on superhydrophobic surfaces

Current:
Eli Lily

Jacob Monroe

Education:
B.S. Chemical Engineering, University of Virginia (2014)

Research:
HIV drug resistance and host-guest interactions

Current:
Ph.D candidate, UC-Santa Barbara Department of Chemical Engineering

Yanzhi Yang

Education:
B.S. Chemical Engineering, University of Virginia (2014)

Research:
Protein-ligand docking

Current:
Associate Engineer, Merck

Ellen Zhong

Education:
B.S. Chemical Engineering, University of Virginia (2014)

Research:
Protein interactions with chromatographic surfaces

Current:
D. E. Shaw Research

Himanshu Paliwal

Education:
Ph.D. University of Virginia (2014)
B.Tech. ITBHU (2006)

Research:
Comparison and standardization of free energy methodologies for chemical design

Current:
RTI International

Arjan Kool

Education:
B.S. Chemical Engineering, University of Virginia (2013)

Research:
Simulation and design over many states

Current:
Junior Process Engineer, Global Process Automation

Tri Pham

Education:
Ph.D. Monash University (2009)
B.E.,B.Sc. University of Sydney (2004)

Research:
Optimized methods for free energy calculations and applications to viral resistance

Current:
Postdoctoral scholar, University of Basel

Christoph Klein

Education:
B.S. Chemical Engineering, University of Virginia (2012)

Research:
Automation of molecular design, GPU computing

Current:
Ph.D candidate, Vanderbilt Department of Chemical Engineering

Karan Mehra

Education:
B.S. Chemical Engineering, University of Virginia (2012)

Research:
Interaction of proteins with chromatographic materials

Current:
Associate Engineer, Merck

Jon Fuller (Summer 2009)

Website

Education:
Ph.D. University of Leeds (2011)
B. A. University of Oxford (2006)

Research:
Design of biomimetic polymers for modulation of biological function

Current:
Postdoctoral Scholar, Heidelberg Institute for Theoretical Studies

Walid El-Nahal

Education:
B.S. Chemical Engineering, University of Virginia (2011)

Research:
Conformational rearrangement of HIV-RT on drug binding

Current:
M.D. candidate, University of Virginia

Michael Zhu

Education:
B.S. Chemical Engineering, University of Virginia (2011)

Research:
Automation of alchemical molecular design

Current:
Manufacturing Technician, Meso Scale Discovery

Chris Lee

Education:
B.S. Chemistry and B. A. Computer Science, University of Virginia (2011)

Research:
Automation of molecular design

Current:
Ph.D. candidate, UC-San Diego Department of Chemistry

Graduate and Undergraduate Openings

The group is moving to the University of Colorado Boulder during the fall of 2015. Potential graduate students who are interested in the research group should contact Prof. Shirts and apply to the Chemical Engineering Ph.D. program at the University of Colorado Boulder. In some cases, admission through other departments may be possible. Students interested in undergraduate research opportunities in the lab should contact Prof. Shirts directly.