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Group Leader
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Ross
Walker
Prof.
Walker serves as an Assistant Research Professor at the
San Diego Supercomputer Center at the University of California, San Diego
(UCSD), as an Adjunct Assistant Professor of Chemistry
and Biochemistry at UCSD and as biosciences
lead of the Scientific Applications Computing group at
the San Diego Supercomputing Center. He is a principal
developer of the AMBER Molecular Dynamics code and has
extensive experience in developing and teaching
classical and QM/MM molecular dynamics techniques. Prof.
Walker holds a Ph.D. and Diploma of Imperial College in
Computational Chemistry, a Masters in Science degree in
Chemistry from the UK's Imperial College of Science,
Technology and Medicine as well as an Associateship of
the Royal College of Science. Prior to joining UCSD Prof.
Walker worked as an applications scientist and
postdoctoral research scholar at The Scripps Research
Institute in La Jolla, CA. |
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Post Docs |
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Mark Williamson
Dr.
Williamson is a postdoctoral research associate working
on developing high performance molecular dynamics
engines tailored for HPC resources. He is also the
author of the CHAMBER software package which provides
support for CHARMM force fields within the AMBER MD
engines. |
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Andreas Goetz
Dr.
Goetz is a postdoctoral research associate working on
enhanced QM/MM molecular dynamics techniques including
improving the semi-empirical and DFTB methods within the
AMBER software as well as adding new methods such as DFT
via the Amsterdam Density Functional (ADF) software
package. |
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Dong Xu
Dr. Xu
is a postdoctoral research associate at SDSC and the
Department of Chemistry, UCSD. He is working on studying
the mechanism of action of the binding module of the
cellulase enzyme CBH-I in support of bioethanol research
as well as development of GPU accelerated versions of
the AMBER software. |
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Undergrad
Researchers |
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Parastou Sadatmousavi
Parastou is a
visiting undergraduate student from the Department of
Bioengineering at UCSD. She is working on understanding
the mechanism of action of the binding module of the
Cellulase enzyme CBH-I. |
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High School
Researchers |
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Matthew Clark
Matthew is a
high school student from Canyon Crest academy working in
the lab for the summer under the
Life Sciences Summer Institute Program. He is
working jointly with Prithvi Undavalli to develop an
interface between the AMBER and the Amsterdam Density
Functional programs to support DFT based QM/MM MD
simulations. |
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Prithvi Undavalli
Prithvi is a
high school student from Canyon Crest academy working in
the lab for the summer under the
Life Sciences Summer Institute Program. He is
working jointly with Matthew Clark to develop an
interface between the AMBER and the Amsterdam Density
Functional programs to support DFT based QM/MM MD
simulations. |
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Alumni |
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Age Skjevik
Age was a
visiting graduate student from the University of Bergen,
Norway. He worked on developing advanced classical
force fields for membranes and still maintains an active
collaboration with the group. |
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Thorsten Woelfle
Thorsten was
a visiting graduate student from the University of
Erlangen, Germany. He worked on developing a Windows
port of the AMBER software as well as optimization of
the AMBER code. Thorsten also
worked on advanced Quantum Mechanical techniques for
simulation of condensed phase biological systems.
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Paul Frybarger
Paul
was a visiting undergraduate student from the University
of Hope College, MI. He worked on developing
parallel analysis techniques for Molecular Dynamics
simulations including a parallel implementation of the
AMBER Ptraj software. |