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Curriculum Vitae

(also available as pdf file: short / long version)

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 atomistic (bio)molecular simulation methods, high-performance and data intensive computing.
 
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
04/12 UCSD International Scholar Spotlight
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, Fellowships, Funding
07/16 UC-MEXUS CONACYT award of $24,920 (PI), with Juan Rodriguez from IPN, Mexico (co-PI): Multiscale simulations of molecular donor-acceptor structures for the design of high-performance organic solar cells
01/15 NSF award #1416571 of $299,205 (PI): International Collaboration in Chemistry: CDS&E: Multiscale Simulations of Bifunctional Catalysis
12/15 NSF XSEDE grant renewal of 659k SUs (value of $31,350) (PI): QM and QM/MM simulations of biomolecular systems.
12/14 NSF XSEDE grant of 556k SUs (value of $25,224) (PI): QM and QM/MM simulations of biomolecular systems.
09/14 Intel Parallel Computing Center established at SDSC (Co-PI).
10/13 DOE National Renewable Energy Laboratory (NREL) 2-year subcontract (PI): Advanced quantum and molecular mechanical methods development.
07/13 NSF XSEDE supplemental grant of 755k SUs (PI): QM and QM/MM simulations of biomolecular systems.
06/13 NSF XSEDE grant of 100k SUs (PI): XSEDE student engagement: Effect of numerical noise on molecular dynamics simulations of enzymes.
12/12 NSF XSEDE grant of 1.2m SUs (Co-PI): QM and QM/MM simulations of biomolecular systems.
06/12 NSF XSEDE grant of 270k SUs (PI): Understanding ion solvation at the air/water interface from adaptive QM/MM molecular dynamics simulations.
04/12 National Institutes of Health (NIH) grant (Senior Key Personnel): Quantum chemistry of proton pumping by cytochrome c oxidases.
09/11 NSF TeraGrid grant of 349k SUs (Co-PI): Family 7 and Family 61 cellulose degrading enzymes: Understanding the catalytic function.
03/11 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)
07/03-08/05 Scholar of e-fellows.net
05/02-08/05 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
Served on NSF review panel
Ad-hoc reviewer ACS Petroleum Research Fund, NWO (Dutch Science Foundation)
Peer reviewer for Journal of Chemical Theory and Computation
Peer reviewer for Journal of Computational Chemistry
Peer reviewer for Journal of Chemical Physics
Peer reviewer for Journal of Physical Chemistry Letters
Peer reviewer for Biomacromolecules
Peer reviewer for Computer Physics Communications
Peer reviewer for Journal of Parallel and Distributed Computing
Peer reviewer for International Journal of High Performance Computing Applications
since 10/14 Co-Director of the Intel Parallel Computing Center at SDSC
since 06/13 Co-Director of the Nvidia CUDA Teaching Center at SDSC
11/13 Organization of a CUDA on Campus GPU computing event at SDSC (2 day symposium and workshop).
07/13 Judge, poster session of the XSEDE 13 conference.
08/11 Organization of an AMBER workshop at ECNU in Shanghai, China.
03/11 Organization of an ADF workshop at SDSC.
 
Student supervision
06/14-08/14 Pedro D. Bello-Maldonado, FIU (XSEDE-SI14 graduate student internship)
06/14-08/14 Prathyush Katukojwala, Pietro Sette, Evan Wildenhain (REHS 14 summer internship at SDSC)
08/13-09/13 Dogancan Yarka (Visiting undergraduate student)
06/13-08/13 Rahul Nori (XSEDE-SI13 graduate internship at SDSC)
06/13-08/13 Stephen Clark (REHS13 summer internship at SDSC)
12/12-08/13 Keshav Tadimeti (High school intern and REHS13 summer internship at SDSC)
06/12-08/12 Matthew Clark (XSEDE-SI12 undergrad internship at SDSC)
06/12-07/12 Roger Ouyang and Balachandar Kesavan (REHS12 high-school summer internship at SDSC)
02/11-08/11 Matthew Clark (High-school internship at SDSC)
07/11-08/11 Mike Wu (REHS11 high-school summer internship at SDSC)
09/10 Ben Madej (PhD rotation student at SDSC)
06/10-08/10 Matthew Clark and Prithvi Undavalli (LSSI summer internship at SDSC)
02/07-06/10 S. Maya Beyhan (PhD thesis, day-to-day supervision)
06/08-06/09 Patricia Torres Celis (Master thesis)
02/09-05/09 Henk van Lingen (undergraduate research project)
06/06-09/06 Arjen J. Jakobi and Peter R. Tentscher (undergraduate research project)
02/06-05/06 Sebastian Lacher (Bachelor thesis)
 
Participation in workshops and conferences
05/2015 CanBIC-5: 5th Georgian Bay International Conference on Bioinorganic Chemistry, Parry Sound (ON), Canada
02/2015 AMBER developer meeting, University of Florida, Gainesville (FL), USA
01/2014 AMBER developer meeting, Stony Brook University, Stony Brook (NY), USA
12/2013 Workshop "High-Performance Tensor Software for Scientific Computing", Laguna Beach (CA), USA
11/2013 SDSC CUDA on Campus GPU Symposium, UCSD, La Jolla (CA), USA
07/2013 XSEDE 13, San Diego (CA), USA
07/2013 SICM2 workshop on Code and Data Interoperability, Blacksburg (VA), USA
06/2013 AAAS Pacific Division 94th Annual Meeting, Las Vegas (NV), USA
05/2013 CanBIC-4: 4th Georgian Bay International Conference on Bioinorganic Chemistry, Parry Sound (ON), Canada
03/2013 AMBER developer meeting, University of Utah, Salt Lake City (UT), USA
01/2013 NVIDIA Technical Summit for Computational Chemistry & Biology Developers, San Jose (CA), USA
06/2012 AAAS Pacific Division 93rd Annual Meeting, Boise (ID), USA
03/2012 243rd ACS National Meeting, San Diego (CA), USA
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, CUDA, Bash, Perl, GNU make, sed, gawk, Latex, HTML
Parallelization: MPI, OpenMP, CUDA
Applications: Emacs, xfig, gnuplot, xmgrace, Word, Excel, Powerpoint
Chemistry: Various chemoinformatics, quantum chemistry, molecular dynamics and visualization software
Tools: GNU, PGI, Lahey/Fujitsu and Intel 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

last modification: 2015/01/29