NOMAD Presentations at Conferences and Public Events


  • C. Carbogno, FHI Electron-Phonon Coupling: Fundamental Concepts & Heat-Transport Calculations Meeting of the Scientific Fachbeirat, Fritz-Haber-Institut der Max-Planck-Gesellschaft, Berlin, Germany, Nov 2015
  • C. Carbogno, FHI Thermodynamic Equilibrium and Non-equilibrium Properties from First Principles SimGrow 2015: Simulation of chemistry-driven growth phenomena for metastable materials, Schloss Rauischholzhausen, Marburg, Germany, Nov 2015
  • M. Rupp, FHI Machine Learning for Quantum Mechanical Properties of Atoms in Molecules 18th Asian Workshop on First-Principles Electronic Structure Calculations, Tokyo, Japan, Nov. 10, 2015
  • M. Rupp, FHI Machine Learning for Materials Science University of Tokyo, Japan, Nov. 11, 2015
  • C. Draxl, HU Berlin Insight through Sharing: Data-driven Materials Science Invited talk at the 6th Workshop on Novel Methods for Electronic Structure Calculations, La Plata, Argentinia, Nov. 12-14, 2015
  • M. Rupp, FHI Machine Learning Models for Materials Science at the Atomic Scale National Institute for Materials Science, Tsukuba, Japan, Nov. 13, 2015
  • C. Draxl, HU Berlin Big Data in den Materialwissenschaften: Eine Quelle neuen Wissens Plenary talk at the RDA Deutschland – Treffen, Potsdam, Nov. 25-26, 2015
  • C. Draxl, HU Berlin From Sharing to Insight: The NOMAD Project (invited talk) and M. Rupp, FHI Challenges in Development of Accurate and Efficient Atomistic Machine Learning Models CECAM Workshop Big Data of Materials Science form First Principles - Critical Next Steps, Lausanne, Switzerland, Nov. 30 – Dec. 4, 2015
  • C. Carbogno, FHI Keeping Approximations Under Control Discussion Leader at Big Data of Materials Science – Critical Next Steps, CECAM HQ, Lausanne, Switzerland, Dec 2015


  • C. Draxl, HU Berlin Quantities related to excited-state calculations (invited talk), L. Ghiringelli, FHI A Common energy zero for total energies, C. Carbogno, FHI Numerical Quality Control in Computational Materials’ Databases CECAM Workshop Towards a Common Format for Computational Materials Science Data, Lausanne, Jan. 25-27, 2016
  • A. Foster, AALTO Tips and ions in high resolution imaging at water-insulator interfaces, CECAM/Psik Workshop on Solid/Liquid Interfaces, Zurich, Switzerland, 27 Jan 2016
  • C. Carbogno, FHI Accurate Thermal Conductivities from First Principles Mini Workshop on Simulations of Thermoelectric Materials, Helmholtz Zentrum Dresden Rossendorf, Feb 2016
  • C. Carbogno, FHI Novel Theoretical Approaches to Electron-Phonon and Phonon-Phonon coupling Seminar of the Physical Chemistry Department, Fritz-Haber-Institut der Max-Planck-Gesellschaft, Berlin, Germany, Feb 2016
  • C. Carbogno, FHI Vorstellung des Projektpartners Fritz-Haber-Institut der Max-Planck-Gesellschaft Kick-off Meeting of the ELPA-AEO Project, Munich, Germany, Mar 2016
  • C. Carbogno, FHI Thermal Conductivities in Solids from First Principles: Accurate Computations and Rapid Estimates Spring Meeting of the American Physical Society (APS), Baltimore, Mar 2016
  • L. Ghiringelli, FHI Learning descriptors from materials science (big) data Invited talk, Institute of Physics at Czech Academy of Science, Prague, Mar 2016
  • L. Ghiringelli, FHI Causal models in Big-Data Analytics for Novel Materials Discovery 2016 Materials Research Society Spring Meeting, Phoenix USA, Mar 2016
  • F. Mohamed, FHI Building a code-independent database PPES IV 2016, Zermatt, Switzerland, Apr 2016
  • M. Rupp, FHI Atomistic Machine Learning Models PPES IV 2016, Zermatt, Switzerland, Apr 2016
  • L. Ghiringelli, FHI Big data analytics in Materials Science Björn Bieniek, FHI Numerical quality control in computational materials databases and C. Carbogno, FHI Berlin Big-Data Analytics in Materials Science Hands-on workshop and Humboldt-Kolleg ‘Density-Functional Theory and Beyond – Basic Principles and Modern Insights’ Isfahan University of Technology, May 2016
  • F. Illas, UB, CO2 conversion to methanols with mention of NOMAD Laboratory CoE, 15th International Conference on Theoretical Aspects of Catalysis, June 2016
  • C.Draxl, HU Berlin CELL - a novel cluster expansion and its application to thermoelectric clathrates Invited talk at the Reunion Conference on the program Materials for a Sustainable Energy Future, Lake Arrowhead, USA, June 5-10, 2016
  • MPSD, Workshop on "Theoretical challenges: simulating materials out of equilibrium". Center for Free-Electron Laser Science (CFEL), Hamburg, Germany. June 1-3, 2016
  • MPSD, Different Routes to Quantum Molecular Dynamics, CECAM-HQ-EPFL, Lausanne, Switzerland, June 6-10, 2016
  • FHI, NOMAD was presented at a session hosted by the Fritz-Haber-Institut der Max-Planck-Gesellschaft at the Long Night of Science, Berlin, 11 June 2016
  • R. Valero, NOMAD demo at iPolymorphs, Novel Routes to Inorganic Polymorphs Workshop, Donostia, Spain, 22-24 June 2016
  • L. Ghiringelli, FHI Machine Learning for Fast Property Predictions Electronic Structure Theory with Numeric Atom-Centred Basis Functions FHI-aims Developers’ and Users’ Meeting, Munich, Jul 2016
    L. Ghiringelli, FHI Finding descriptors for real materials Big-Data Driven Materials Science Workshop, Ringberg Castle, Jul 2016
  • R. García Hernández, LRZ NOMAD Virtual Reality (VR) prototypes presented at Zukunft Digital - Big Data Munich, 18 Jul 2016
  • R. García Hernández, LRZ NOMAD Virtual Reality (VR) prototypes presented at Virtual Reality Day Hochschule Fresenius 2016, 20 Jul 2016
  • C. Draxl, HU Berlin Pattern recognition, structural similarity, and material maps Invited talk at the BDDMS Workshop, Ringberg, Germany, July 27-30, 201
  • Martina Stella, KCL A common format for materials data Theory and Applications of Computational Chemistry, 28 Aug – 02 Sep, Seattle
  • C. Draxl, HU Berlin Novel Materials Discovery: The NOMAD Project HoW exciting! 2016, HU Berlin, Germany, August 3-11, 2016
  • C. Draxl, HU Berlin From big data of materials science to scientific insight: the NOMAD Laboratory Keynote talk at the CECAM Workshop Multiscale Simulation: from Materials through to Industrial Usage, Dublin, Ireland, September 5-7, 2016
  • M. Rampp, FHI Practical Tutorial on Machine Learning for Electronic Structure Calculations IPAM Understanding Many-Particle Systems with Machine Learning Tutorials, Los Angeles, USA, September 16, 2016
  • A. Foster, AALTO Molecularly functionalized surfaces and interfaces COST workshop Reversible Control of Surface Interactions, Oxford, UK, 16 Sept 2016
  • C. Draxl, HU Berlin Big data in materials science: New tools for getting insight into materials properties and functions Invited talk at the Workshop on Machine Learning Meets Many-Particle Problems, UCLA, Los Angeles, USA, September 26-30, 2016
  • M. Rupp, FHI New data, validation, code and representation of interpolation across chemical compound space IPAM Workshop on Machine Learning Meets Many-Particle Problems, UCLA, Los Angeles, USA, September 30, 2016
  • C. Draxl, HU Data-driven materials research: Novel routes to new insight and predictions Plenary lecture at 8th International conference on Multiscale Materials Modeling, France, 9 - 14 October 2016
  • R. García Hernández, LRZ showcased advanced visualizations from NOMAD at i4c Munich, 29 Oct 2016
  • F. Illas, UB The “NOMAD (Novel Materials Discovery) Center of Excellence”: Challenges and Solutions to Build a Code-independent Data Base for Computational Materials Science and its implication in Computational Chemistry, Keynote at German Cheminformatics Conference, Fulda, Germany, 08 Nov 2016
  • C. Draxl, HU Berlin The NOMAD Laboratory: Aspects of data curation Keynote talk at CHiMaD 2016 Summit on Data & Analytics for Materials Research, USA, 31 Oct - 02 Nov 2016
  • R. García-Hernández, LRZ) Realism, NPR, interaction, virtual reality, serious gaming and applications at Tianjin University, China 7 Dec 2016


  • R. García-Hernández (LRZ) Realism, NPR, interaction, virtual reality, serious gaming and applications at Luleå Technical University, Sweden, 19 January 2017 
  • BSC presented NOMAD at Joint Research Mission by Research Organization for Information Science and Technology (RIST)
    Industrial Committee for Supercomputing Promotion (ICSCP) coordinated by RIKEN and MEXT (Ministry of Education, Culture, Sports, Science and Technology), including industry representatives from Fujitsu, Sumitomo Chemical, MCHC R&D Synergy Center (subsidiary of Mitsubishi Chemical Holdings), Toray Industries, Toyota Motor Corporation, NEC corporation, 03 Feb 2017
  • BSC presented NOMAD at online-meeting with representatives from Mitsubishi Research Institute in the context of a governmental "Strategic Innovation Promotion Program", 16 Feb 2017
  • BSC presented NOMAD at the PRACE training: "HPC-based simulations, Engineering and Environment", 16 Feb 2017
  • M. Scheffler (FHI-MPG) DFT, Its Impact on Condensed Matter and on "Materials-Genome'' Research at APS March Meeting, USA, 16 Mar 2017