curriculum vitae

Personal Information

Name Christoph Junghans
  Image of Christoph
   

Education

University  
Oct. 2010 Dr. rer. nat. (Ph.D.) in Physics, Johannes Gutenberg University, Mainz, Germany
   
Nov. 2006 Diploma (M.Sc.) in Physics, University of Leipzig, Germany
  Minors: Meteorology, Chemistry
   
School  
July 2000 Abitur, Gymnasium Brandis, Germany
  Major field of study: Mathematics, Physics
   

Work Experience

Feb. 2021 - Present Group Leader, Applied Computer Science Group, Computer, Computational, and Statistical Sciences Division, Los Alamos National Lab
Feb. 2016 - Present CNLS Affiliate, Center for Nonlinear Studies, Theoretical Division, Los Alamos National Lab
July 2018 - Feb. 2021 Deputy Group Leader, Applied Computer Science Group, Computer, Computational, and Statistical Sciences Division, Los Alamos National Lab
Jan. 2017 - July 2018 Deputy Team Leader, Co-Design Team, Computer, Computational, and Statistical Sciences Division, Los Alamos National Lab
May 2014 - July 2018 Staff Scientist, Computer, Computational, and Statistical Sciences Division, Los Alamos National Lab
Mar. 2013 - Apr. 2014 Director’s Postdoc. Fellow, Theoretical Division, Los Alamos National Lab
Nov. 2011 - Feb. 2013 Postdoc. Research Assistant, Theoretical Division, Los Alamos National Lab
May 2012 - June 2012 Member, The Kavli Institute for Theoretical Physics, University of California, Santa Barbara, CA
Nov. 2010 - Oct. 2011 Postdoc. Research Assistant, Polymer Theory Group, Max Planck Institute for Polymer Research, Mainz, Germany
Jan. 2007 - Oct. 2010 PhD Student, Polymer Theory Group, Max Planck Institute for Polymer Research, Mainz, Germany
Jan. 2009 - July 2009 Internship as Specialist for Application Performance & Deep Computing, IBM Systems & Technology Group
Oct. 2003 - Sep. 2006 Student Assistant, Institute for Theoretical Physics, University of Leipzig
Aug. 2005 - Oct. 2005 Visiting students program “Scientific Computing”, Jülich Supercomputing Centre, Germany
Sep. 2004 Student Assistant, Institute for Meteorology, University of Leipzig
Feb. 2003 - Apr. 2003 Service contract, Chair for Fluid Mechanics, Martin Luther University of Halle-Wittenberg, Halle, Germany
Mar. 2002 Student Assistant, Institute for Theoretical Physics, University of Leipzig
   

Awards

Nov. 2019 Top 10% most cited PLOS ONE papers published in 2015
Sep. 2017 LAAP Award in recognition of outstanding contributions to the ISTI Summer School Program
Feb. 2017 Postdoc. Distinguished Mentor Award, LANL
July 2016 LAAP Achievement Award in appreciation for active service on the WSST team
Jan. 2015 Classified as outstanding researcher, USCIS
Jan. 2014 Most cited article published in EPJE in the past 5 years
Mar. 2013 Los Alamos National Laboratory Director’s Post-Doctoral Fellowship
May 2012 Member of the Kavli Institute for Theoretical Physics
June 2010 Participant of 60th Lindau Nobel Laureate Meeting
Nov. 2006 Diploma with honor (highest possible grade)
Nov. 2005 Wolfgang Natonek award, University of Leipzig
Oct. 2003 Teubner award, Department for Physics and Earth Science, University of Leipzig
July 2000 Book award of the German Physical Society (DPG) for high school graduates
   

Open Source Projects

VOTCA Versatile object-oriented toolkit for coarse-graining applications Core Developer
FleCSI Flexible Computer Science Infrastructure Developer
Gentoo Advanced Linux distribution Developer
Fedora Linux distribution Contributor
OpenSuse Linux distribution Contributor
ESPReSo++ Successor of the ESPResSo simulation package Developer
GroMaCS Versatile package to perform molecular dynamics Developer (inactive)
ESPReSo Extensible Simulation Package for Research on Soft matter Developer (inactive)
     

For more infomation see my GitHub profile and my OpenHUB profile

Professional Skills

Referee for Scientific Journals

  • ACS: J. Chem. Inf. Model. & J. Phys. Chem.
  • AIP: J. Chem. Phys.
  • Elsevier: Comp. Phys. Comm.
  • RSC: Phys. Chem. Chem. Phys.
  • and others

Code Review

Conferences

Representativ

Nov. 2018 - Present Member of the Information Science and Technology Institute (ISTI) council, LANL
July 2015 - June 2016 Member of the Worker Safety & Security Team (WSST) for CCS-7, LANL
July 2007 - Dec. 2008 PhD representative of the theory group, Max Planck Institute for Polymer Research, Mainz
Nov. 2007 - Nov. 2008 PhD representative of the MPI for Polymer Research, Mainz
Oct. 2002 - Sep. 2005 Elected member of student government (Fachschaftsrat) of the Department for Physics and Earth Science, University of Leipzig - Extensive committee work in this period incl. spokesperson, treasurer and member of several faculty/university committees
   

Computer Skills

General Linux, AIX, Mac OS, DOS, Windows
Programming C, C++, Fortran, MPI, OpenMP
Scripting Shell, awk, Perl, expect, PHP, tcl, Python
Markup Languages HTML, latex, mediawiki, txt2tags
   

Teaching Experience

Aug. 2021 “Electronic Spectroscopy with VOTCA and LAMMPS” (Tutorial), LAMMPS Workshop and Symposium 2021
Aug. 2019 “VOTCA and LAMMPS for electronic spectroscopy and transport” (Tutorial), LAMMPS Workshop and Symposium 2019, Albuquerque, NM
May 2018 - Aug. 2018 Co-Design Summer School (6 Students), Los Alamos National Laboratory
May 2017 - July 2017 Co-Design Summer School (6 Students), Los Alamos National Laboratory
Oct. 2016 “Coarse-Graining with VOTCA” (Tutorial), CECAM Workshop “Multiscale Simulations of Soft Matter with Hands-On Tutorials on ESPResSo++ and VOTCA”, Mainz, Germany
June 2016 - Aug. 2016 Co-Design Summer School (7 Students), Los Alamos National Laboratory
May 2016 Gitlab Hands-On course, ASC/NGC Program, LANL
Oct. 2015 “Coarse-Graining with VOTCA” (Tutorial), CECAM Summer School “Simulating Soft and Active Matter with ESPResSo, ESPResSo++ and VOTCA”, ICP Stuttgart
Sep. 2015 Git Hands-On course, ASC/NGC Program, LANL
June 2015 - Aug. 2015 Co-Design Summer School (6 Students), Los Alamos National Laboratory
Nov. 2014 Git IC Tutorial, Institutional Computing, LANL
Oct. 2014 Hands-on: VOTCA, CECAM “School on Multiscale Modeling and Use of Espresso++ and VOTCA”, Mainz, Germany
June 2014 - Aug. 2014 Co-Design Summer School (6 Students), Los Alamos National Laboratory
Aug. 2014 Gromacs Tutorial, The Eighth q-bio Summer School, Albuquerque, NM (LA-UR 14-26188)
June 2014 Gromacs IC Tutorial, Institutional Computing, LANL (LA-UR 14-24814)
Oct. 2013 “Systematic Coarse-Graining with VOTCA” (Tutorial), CECAM Summer School “Simulating Soft Matter with ESPResSo, ESPResSo++ and VOTCA”, ICP Stuttgart
June 2013 - Aug. 2013 Co-Design Summer School (6 Students), Los Alamos National Laboratory
July 2013 Gromacs Tutorial, The Seventh q-bio Summer School, Santa Fe, NM
Oct. 2012 “Systematic Coarse-Graining with VOTCA” (Tutorial), CECAM Workshop “Simulating Soft Matter with ESPResSo, ESPResSo++ and VOTCA”, ICP Stuttgart
July 2012 Gromacs Tutorial, The Sixth q-bio Summer School, Santa Fe, NM
Oct. 2011 Hands-on: VOTCA, CECAM Workshop “Coarse-grained Simulation of Biological Soft Matter Systems using ESPResSo”, ICP Stuttgart
May 2010 Votca Workshop, CSI Darmstadt
Apr. 2008 - Sep. 2008 Theoretical physics III, Johannes Gutenberg University of Mainz
Oct. 2007 - Mar. 2008 Theoretical physics II, Johannes Gutenberg University of Mainz
Apr. 2007 - Sep. 2007 Theoretical physics I, Johannes Gutenberg University of Mainz
Apr. 2006 - Sep. 2006 Introduction to computer simulations I, University of Leipzig
Sep. 2004 - Oct. 2004 Mathematical preparation course for first-year students, University of Leipzig
   

Mentoring

Feb. 2021 - Present Postdoc. Research Assistant, Los Alamos National Laboratory
June 2019 - Mar. 2021 Postdoc. Research Assistant, Los Alamos National Laboratory
Feb. 2018 - Apr. 2020 Postdoc. Research Assistant (now Staff Scientist), Los Alamos National Laboratory
May 2018 - Feb. 2019 Postdoc. Research Assistant (now Staff Scientist), Los Alamos National Laboratory
Feb. 2017 - Jan. 2019 Postdoc. Research Assistant (now Staff Scientist), Los Alamos National Laboratory
Sep. 2018 Member of PhD committee, University of Reims Champagne-Ardenne
June 2018 - Aug. 2018 ECP Summer Student, Los Alamos National Laboratory
May 2018 - Aug. 2018 Co-Design Summer School (6 Students), Los Alamos National Laboratory
May 2018 - Aug. 2018 ASC Summer Student, Los Alamos National Laboratory
Feb. 2016 - May 2018 Postdoc. Research Assistant (now Staff Scientist), Los Alamos National Laboratory
Dec. 2016 - Apr. 2018 Postdoc. Research Assistant (now Staff Scientist), Los Alamos National Laboratory
June 2017 - Aug. 2017 High School Internship Student, Los Alamos National Laboratory
Apr. 2017 - June 2017 ASC Summer Student, Los Alamos National Laboratory
May 2017 - July 2017 Data-Science at Scale Summer Student, Los Alamos National Laboratory
May 2017 - July 2017 Co-Design Summer School (6 Students), Los Alamos National Laboratory
May 2015 - May 2017 Metropolis Postdoc. Fellow (now Staff Scientist), Los Alamos National Laboratory
Aug. 2016 - Apr. 2017 Postdoc. Research Assistant (now Staff Scientist), Los Alamos National Laboratory
Jul. 2016 - Sep. 2016 CNLS Summer Student, Los Alamos National Laboratory
Jun. 2016 - Aug. 2016 Co-Design Summer School (7 Students), Los Alamos National Laboratory
Jul. 2015 - Sep. 2015 IC Summer Student, Los Alamos National Laboratory
Jun. 2015 - Aug. 2015 Co-Design Summer School (6 Students), Los Alamos National Laboratory
Jul. 2014 - Sep. 2014 CNLS Summer Student, Los Alamos National Laboratory
Jun. 2014 - Aug. 2014 Co-Design Summer School (6 Students), Los Alamos National Laboratory
Jun. 2013 - Aug. 2013 Co-Design Summer School (6 Students), Los Alamos National Laboratory
Jun. 2010 - Aug. 2010 Summer Student, University of Mainz
Oct. 2005 - Mar. 2006 Simulation methods in generalized ensembles (2 Students), University of Leipzig
   

Talks

Colloquium Talks

July 2011 “Locality Analysis via Adaptive Resolution Simulations”, Theoriekolloquium, Faculty of Natural Sciences II, Martin Luther University Halle-Wittenberg
   

Invited Talks

Oct. 2016 “Recent developments in VOTCA”, CECAM Workshop “Multiscale Simulations of Soft Matter with Hands-On Tutorials on ESPResSo++ and VOTCA”, Mainz, Germany
Oct. 2015 “Recent and Future Developments of VOTCA”, CECAM Summer School “Simulating Soft and Active Matter with ESPResSo, ESPResSo++ and VOTCA”, ICP Stuttgart
Oct. 2014 “Introduction to coarse-graining of liquids and soft matter using VOTCA”, CECAM “School on Multiscale Modeling and Use of Espresso++ and VOTCA”, Mainz, Germany
Oct. 2013 “Recent and Future Developments of VOTCA”, CECAM Summer School “Simulating Soft Matter with ESPResSo, ESPResSo++ and VOTCA”, ICP Stuttgart
Oct. 2012 “Multi-scale modeling using AdResS”, CECAM Workshop “Simulating Soft Matter with ESPResSo, ESPResSo++ and VOTCA”, ICP Stuttgart
June 2012 “Molecular Dynamics using Gromacs”, Intel EPOCH, Workshop, Portland, OR
June 2012 “Towards a Unified Framework for Coarse-graining Particle-based Simulations”, KITP Conference: “Modeling Soft Matter: Linking Multiple Length and Time Scales”, UCSB
Oct. 2011 “Multi-scale modeling using AdResS”, CECAM Workshop “Coarse-grained Simulation of Biological Soft Matter Systems using ESPResSo”, ICP Stuttgart
Oct. 2010 “Multi-scale modeling using AdResS”, CECAM Workshop “Simulating Soft Matter with ESPResSo”, ICP Stuttgart
Nov. 2007 “Controlling material properties using a thermostat”, CompPhys07, ITP Leipzig
   

Seminar Talks (invited)

Sep. 2018 “Co-Design at Los Alamos National Laboratory”, University of Reims Champagne-Ardenne
June 2017 “Parallel Runtime Environments with Cloud Database: Performance Study for HMM with Adaptive Sampling”, Nambe Meeting, Los Alamos, NM
Oct. 2016 “Co-Design at Los Alamos National Laboratory”, MPCDF
June 2016 ASC/NGC Gitlab Tutorial, Parallel Computing Summer Research Internship Program, LANL
Sep. 2012 “Adaptive Resolution Simulations of C60 in Toluene”, Biomolecular Modeling Group, UMD
Aug. 2012 “Multi-scale Modeling using the Adaptive Resolution Scheme”, Sandia National Laboratory, Albuquerque, NM
May 2012 “Particle-based multi-scale simulations using the Adaptive Resolution Scheme”, IBM Research, Almaden
May 2012 “Coarse-graining Using the VOTCA Package”, KITP Program: “Physical Principles of Multiscale Modeling, Analysis and Simulation in Soft Condensed Matter”, UCSB
July 2011 “Locality Analysis via Adaptive Resolution Simulations”, DFH-UFA & TKM Seminar, Institut für Theoretische Physik, University of Leipzig
June 2011 “Versatile object-oriented toolkit for coarse-graining applications”, Department of Materials and Environmental Chemistry, Stockholm University
Apr. 2011 “Adaptive resolution simulations of aqueous solutions”, Séminaire de Physique, Biophysique et Physique Statistique, UPV Metz
Mar. 2011 “Adaptive resolution simulations of water”, Theoretical and Computational Biophysics Group, UIUC
Mar. 2011 “Adaptive resolution simulations of aqueous solutions”, Laufer Center for Physical and Quantitative Biology, Stony Brook University
Jan. 2011 “Versatile object-oriented toolkit for coarse-graining applications”, Theoretical and Computational Department Biophysics, MPI-BPC
Nov. 2009 “Versatile object-oriented toolkit for coarse-graining applications”, Computational Biology Cluster Seminar, IFF-2, FZ Jülich
July 2009 “New HPC libraries for performance improvements”, IBM Systems & Technology Group
June 2007 “Extensions to Dissipative Particle Dynamics”, Faculty of Science , Lund University
   

Contributed Talks

Aug. 2017 “LAMMPS on CMake”, August 2017 LAMMPS Users’ Workshop and Symposium, Albuquerque, NM
Feb. 2017 “Using Asynchronous Runtimes to Support Multiscale Multiphysics On the Trinity Supercomputer” (with R. Pavel), Programming Models and Co-Design Meeting, Livermore, CA
Feb. 2016 “Tabasco: A realistic multi-scale proxy app for Material science” (with S. Mniszewski), Programming Models and Co-Design Meeting, Los Alamos, NM
Feb. 2016 “Actually Using Runtimes for Meaningful Computation: Multiphysics, not Fibonacci” (with R. Pavel), Programming Models and Co-Design Meeting, Los Alamos, NM
Aug. 2015 “Coarse-graining using VOTCA and LAMMPS”, August 2015 LAMMPS Users’ Workshop and Symposium, Albuquerque, NM
May 2015 “Parallel Runtime Environments with Cloud Database: Performance Study for HMM with Adaptive Sampling”, 13th Annual Workshop on Charm++ and its Applications, Champaign-Urbana
Mar. 2014 “Discrete Event-based Performance Prediction for Temperature Accelerated Dynamics”, APS March Meeting 2014, Denver
Sep. 2013 “Adaptive Resolution Simulations of C60 in Toluene”, Gromacs USA Workshop and Conference, UVA
Aug. 2013 “Introduction to coarse-graining of liquids and soft matter”, August 2013 LAMMPS Users’ Workshop and Symposium, Albuquerque, NM
Mar. 2013 “Recent developments in the VOTCA package for coarse-graining”, APS March Meeting 2013,
Sep. 2012 “Multi-scale simulations of fullerenes in aqueous solution employing the Adaptive Resolution Scheme”, 22nd International Workshop on Computational Mechanics of Materials (IWCMM XXII), Johns Hopkins University
Mar. 2012 “Structure formation of toluene around C60: Application of the Adaptive Resolution Scheme”, APS March Meeting 2012, Boston
Feb. 2012 “Local structure formation of toluene around a C60 fullerene: An adaptive resolution study”, 25th Annual CSP Workshop, Center for Simulational Physics, University of Georgia
Nov. 2009 “Versatile object-oriented toolkit for coarse-graining applications”, CompPhys09, ITP Leipzig
Nov. 2008 “Comparative atomistic and coarse-grained study of water: simulation details vs. simulation feasibility”, CompPhys08, ITP Leipzig
June 2008 “Adjusting dynamic material properties by a thermostat”, ICMMES 2008, University of Amsterdam
Feb. 2008 “Controlling material properties using a thermostat”, DPG Spring Meeting 2008, Berlin
   

Publications

see here