| Personal Data |
| Name: |
Andreas W. Götz |
| Nationalities: |
German, Italian |
| Place of birth: |
Nürnberg, Germany |
| |
| Appointments |
| 07/11-today |
Assistant Project Scientist at the San Diego Supercomputer Center,
working on QM, QM/MM and GPU accelerated (bio)molecular simulation methods.
|
| |
| Professional Preparation |
| 06/09-06/11 |
Postdoctoral researcher working on QM and QM/MM simulation methods at
the San Diego Supercomputer Center in the group of Prof. R. Walker.
|
| 11/06-04/09 |
Postdoctoral researcher working on frozen density embedding in density
functional theory at the Vrije Universiteit Amsterdam (The
Netherlands) in the group of Prof. Dr. L. Visscher.
|
| 09/05-10/06 |
Postdoctoral researcher working in the area of time-dependent
density functional theory and the optimized effective potential
method at the Friedrich-Alexander-University of
Erlangen-Nürnberg (Germany) in the group of
Prof. Dr. A. Görling.
|
| 11/01-08/05 |
PhD studies in Theoretical Chemistry on the topic Density
functional methods for the calculation of large molecules
at the Friedrich-Alexander-University of Erlangen-Nürnberg
(Germany) under the supervision of Prof. Dr. B.A. Hess (deceased) and
Prof. Dr. A. Görling.
|
| 10/95-10/01 |
Chemistry studies at the Friedrich-Alexander-University of
Erlangen-Nürnberg (Germany)
Diplomarbeit (master's thesis) in Theoretical Chemistry under
the supervision of Prof. Dr. B.A. Hess
Diplom (M.S.) degree with honours |
| 04/98-06/98 |
Study visit in the group of Prof. Dr. D. Braga at the University
of Bologna (Italy)
Research Field Crystal engineering of organic-organometallic
compounds
|
| 09/87-06/95 |
Sigena-Gymnasium (high school), Nürnberg (Germany) |
| 09/83-07/87 |
Elementary school Wiesenschule, Nürnberg (Germany) |
| |
| Awards |
| 07/02 |
Zerweck prize of the Friedrich-Alexander-University of
Erlangen-Nürnberg for excellence in the Diplom exam (final
exams) |
|
Prize of the "Alumni of Chemistry Studies at the
Friedrich-Alexander-University of Erlangen-Nürnberg" for the
Diplomarbeit (master's thesis) |
| 06/95 |
Book prize of the "Fonds der Chemischen Industrie" for the
chemistry A-levels |
| |
| Grants and Fellowships |
| 03/11 |
Department of Energy (DOE) Scientific Discoveries through Advanced
Computing (SciDAC) / National Renewable Energy Laboratory (NREL)
subcontract (PI): Advanced QM and MM Computational Methods Development
|
| 02/11 |
UCSD TRO (Triton research opportunities) grant of $23,850 and 164k SUs
(Co-PI): Development and Application of Parallel QM/MM Methods for
Molecular Dynamics Simulations of Heterogeneous Chemical Reactions on
Atmospheric Aerosols
|
| 01/11 |
NSF TeraGrid grant of 1,475k SUs (Co-PI): Development and application
of advanced classical and QM/MM molecular dynamics algorithms for
simulation of condensed phase biological systems.
|
| 10/10 |
NSF TeraGrid startup grant of 188k SUs (PI): New QM/MM approaches for
high performance molecular dynamics simulations of condensed phase
biological systems.
|
| 09/10 |
DEISA/TeraGrid grant for the participation in the School on HPC
Challenges in Computational Sciences in Acireale, Italy |
| 08/03 |
DAAD (German Academic Exchange Service) grant for the
participation in the European Summerschool in Quantum Chemistry
(ESQC-03) |
| 07/03-08/2005 |
Scholar of e-fellows.net |
| 05/02-08/2005 |
Scholar of the graduate college 312 Homogener und
heterogener Elektronentransfer (Homogeneous and
heterogeneous electron transfer) |
| 11/01-04/02 |
PhD scholarship of the graduate college 312 Homogener und
heterogener Elektronentransfer (Homogeneous and
heterogeneous electron transfer) |
| |
| Synergistic activities |
| Co-developer of the ADF density functional software package |
| Co-developer of the AMBER molecular dynamics software package |
| Peer reviewer for the Journal of Chemical Theory and Computation |
| 03/2011 |
Organization of an ADF workshop at SDSC. |
| 08/2011 |
Organization of an AMBER
workshop at ECNU in Shanghai, China. |
| |
| Student supervision |
| 02/2011 - present |
Matthew Clark (Internship at SDSC) |
| 2007 - present |
S. Maya Beyhan (PhD thesis) |
| 07/2011 |
Mike Wu (REHS summer internship at SDSC) |
| 08/2010 |
Matthew Clark and Prithvi Undavalli (LSSI summer internship at SDSC) |
| 06/2009 |
Patricia Torres Celis (Master thesis) |
| 05/2009 |
Henk van Lingen (undergraduate research project) |
| 09/2006 |
Arjen J. Jakobi and Peter R. Tentscher (undergraduate research project) |
| 05/2006 |
Sebastian Lacher (Bachelor thesis) |
| |
| Participation in workshops and conferences |
| 01/2012 |
AMBER developer meeting, Rutgers University (NJ), USA |
| 03/2011 |
241st ACS National Meeting, Anaheim (CA), USA |
| 03/2011 |
AMBER developer meeting, Athens (GA), USA |
| 10/2010 |
Grand Challenges in Data-Intensive Discovery at SDSC, La Jolla (CA), USA |
| 10/2010 |
DEISA/TeraGrid School on HPC Challenges in Computational Sciences, Acireale, Italy |
| 08/2010 |
Gordon Research Conference Computational Chemistry, Les Diablerets, Switzerland |
| 03/2010 |
239th ACS National Meeting, San Francisco (CA), USA |
| 01/2010 |
AMBER developer meeting, Port Jefferson (NY), USA |
| 11/2009 |
SC09 (Supercomputing), Portland (OR), USA |
| 08/2009 |
MMTSB/CTBP Summer Workshop (Molecular simulation and structure
prediction using Amber, CHARMM, and the MMTSB Tool Set), UCSD, San
Diego (CA), USA |
| 02/2009 |
Advanced Parallel Programming Course, CSC - IT Center for Science, Espoo, Finland |
| 01/2009 |
NWO Symposium, Lunteren, The Netherlands |
| 11/2008 |
Holland Research School of Molecular Chemistry Symposium, Amsterdam,
The Netherlands |
| 01/2008 |
NWO Symposium, Lunteren, The Netherlands |
| 11/2007 |
Holland Research School of Molecular Chemistry Symposium, Amsterdam,
The Netherlands |
| 09/2007 |
43. Symposium für Theoretische Chemie, Saarbrücken, Germany |
| 08/2007 |
12. International Conference on the Applications of DFT, Amsterdam,
The Netherlands |
| 06/2006 |
DFG Priority Program 1145 Symposium, Bad Herrenalb, Germany |
| 05/2006 |
20. Darmstädter Molecular-Modelling-Workshop, Erlangen,
Germany |
| 05/2004 |
18. Darmstädter Molecular-Modelling-Workshop, Erlangen,
Germany |
| 08/2003 |
ESQC-03 European Summerschool in Quantum Chemistry,
Tjörnarp, Sweden |
| 07/2003 |
XIth ICQC (International Conference of Quantum Chemistry), Bonn,
Germany |
| 12/2002 |
Winterschool Large Molecules: Linear Scaling and Related
Electronic Structure Calculation Methods, Helsinki, Finland |
| 08/2002 |
38. Symposium for Theoretical Chemistry, International University
Bremen, Bremen, Germany |
| 08/2002 |
Summerschool Molecular Physics & Quantum Chemistry,
Jesus College, Oxford, England |
| 11/2001 |
Minisymposium of the Graduiertenkolleg 312 Homogener und
heterogener Elektronentransfer (together with the Holland Research
School of Molecular Chemistry),
Veilbronn, Germany |
| 05/1999 |
28th course of the International School of Crystallography
Crystal Engineering: From molecules and crystals to
materials, Erice (Sicily), Italy |
| 05/1999 |
Darmstädter Molecular-Modelling-Workshop, Darmstadt,
Germany |
| 09/1998 |
Course Katalyse in Forschung und Anwendung (Catalysis in
Research and Application) of the Summer Academy of the
Friedrich-AlexanderUniversity of Erlangen-Nürnberg and the
Technical University of Munich, Sarntal (South Tyrol),
Italy |
| 09/1995 |
Workcamp under the organization of SCI (Service Civil
International) for the renovation of a monastery at Àcqui
Terme (Piemont), Italy |
| |
| Languages |
| German: |
mother tongue |
| Italian: |
mother tongue |
| English: |
fluent |
| Portuguese: |
fluent |
| Dutch: |
good |
| French: |
basics |
| |
| Computer expertise |
| Operating systems: |
Linux, Mac OS X, Windows, DOS |
| Languages: |
Fortran, C, Python, Bash, Perl, GNU make, sed, gawk, Latex, HTML |
| Parallelization: |
MPI, OpenMP |
| Applications: |
Emacs, xfig, gnuplot, xmgrace, Word, Excel, Powerpoint |
| Chemistry: |
Various chemoinformatics, quantum chemistry, molecular dynamics and visualization software
|
| Tools: |
PGI, Lahey/Fujitsu and Intel Fortran compiler and debugger, revision
control with CVS, Subversion and git |
| |
| Memberships |
| AAAS (American Association for the Advancement of Science) |
| ACS (American Chemical Society) |
| GDCh (German Chemical Society) |
| DAV (German Alpine Club) |
| |
| Hobbies and interests |
| Reading, Italian and Portuguese language and culture,
fitness, snowboarding, surfing, scuba diving and sports climbing |