Meetings etc.

2018

  • Invited talk: Workshop - Machine Learning at Interfaces, June 4 - 8, 2018, CECAM-HQ-EPFL, Lausanne, Switzerland - Machine Learning for Materials Stability: Are we ML-predicted-Phase Diagram ready? [Workshop link]
  • Co-organizer: Workshop - Open Databases Integration for Materials Design, June 11-15, 2018, CECAM-HQ-EPFL, Lausanne, Switzerland - The high-throughput toolkit and the open materials database: recent developments and the OPTiMaDe API. [Workshop link]
  • Co-organizer: Workshop - Frontiers in Molecular Dynamics: Machine Learning, Deep Learning and Coarse Graining, October 10 - 15, 2018, CECAM-ISR, Tel Aviv, Israel - Machine Learning for Materials Stability: Are we ML-predicted-Phase Diagram ready? [Workshop link]
  • Invited talk: Conference - Game of Materials, October 30 - November 2, 2018, Dubrovnik, Croatia - Materials Design on Three Fronts: Fundamental Theory, Automation, and Artificial Intelligence [Conference link]

2017

  • Invited talk: Workshop - International Workshop on Machine Learning for Materials Science, March 9, 2017, Aalto University, Finland - Materials Design on Three Fronts: Fundamental Theory, Automation, and Machine Learning. [Workshop link]
  • Contributed talk: Conference - APS March meeting, New Orleans, Louisiana, March 13 - 17, 2017 - Semi-Local DFT Functionals with Exact-Exchange-Like Features: Beyond the AK13 [Abstract] (Also credited on talks: Machine learning energies of 2M elpasolite (ABC2D6) crystals, and Modeling of the exact exchange derivative discontinuity in semi-local potentials)
  • Contributed talk: Application Expert Meeting, April 4 - 5, NSC, Linköping University, Sweden - The Heffa Hadoop Cluster - and - Machine Learning for Materials Design.
  • Talk: Meeting - SeRC sattelite meeting: Electronic Structure Community, May 12, 2017, Sigtunahöjden, Sigtuna - Machine Learning for DFT-quality formation energies + more.
  • Lecture: Public Trial Lecture for Appointment as Associate Professor (Universitetslektor / Senior Lecturer), May 23, 2017, Linköping University, Sweden - Computational Materials Design.
  • Invited talk: Conference - 17th International Conference on Density-Functional Theory and its Applications (DFT2017), Tällberg, Sweden, August 21 - 25 - Semi-Local Functionals with Non-vanishing Asymptotic Potentials: Beyond the AK13 [Conference link]
  • Organizer: Minisymposium in connection to the dissertation of Alexander Lindmaa: Theoretical Prediction of Properties of Atomistic Systems: Methods and Applications, Linköping University, Sweden, September 7 (half day).

2016

  • Invited talk: Workshop - Exploring Chemical Space with Machine Learning and Quantum Mechanics, May 30 - June 3, 2016, CECAM-ETHZ, Zurich, Switzerland - Exploring Data-Driven Methods for Materials Design. [Abstract]
  • Invited seminar: June 7, 2016 - Group Seminar THEOS-MARVEL, EPFL, Lausanne, Switzerland - Materials Design on Three Fronts: Fundamental Theory, Automation, and Artificial Intelligence [Seminar link]
  • Invited talk: Conference - Platform for Advanced Scientific Computing (PASC) 2016, June 8 - 10, Lausanne, Switzerland - Designing New Materials with the High-Throughput Toolkit [Conference link]
  • Invited seminar: Group seminar at Physikalische Chemie, Uni Basel, October 5, 2016, Switzerland: Materials Design on Three Fronts: Fundamental Theory, Automation, and Artificial Intelligence.
  • Invited talk: Workshop - Open Databases Integration for Materials Design, October 24 - 28, Lorentz Center, Leiden, Netherlands - The high-throughput toolkit (httk) and the open materials database (omdb).
  • Invited seminar: Group seminar at Materiefysik, Royal Insitute of Technology (KTH), November 23, 2016, Stockholm, Sweden - Materials Design on Three Fronts: Fundamental Theory, Automation, and Artificial Intelligence.

2015

  • Lecture: Docent Lecture in Theoretical Physics and Computational Physics, April 20, 2015, Linköping University, Sweden - Designing new materials with supercomputers: theory development and practical application.
  • Invited talk: Workshop - From Many-Body Hamiltonians to Machine Learning and Back, May 13, 2015, CECAM-DE-MM1P, Dahlem, Berlin, Germany - Crystal Structure Representations For Machine Learning Models of Formation Energies. [Confrence link]
  • Contributed talk: Psi-k 2015 Conference, September 6 - 10, 2015, Donostia-San Sebastian, Kursaal Congress Centre, Spain - The AK13 exchange functional and beyond. [Conference link]

2014

  • Contributed poster: August 20-21, 2014, AFM2014 Conference on Advanced Functional Materials, Vildmarkshotellet Kolmården, Norrköping, Sweden - Poster: Challenges and Opportunities for Energy Materials Design with High-Throughput Computational Screening.
  • Contributed talk: March 21 - 25, 2011 - Conference - APS March meeting, Dallas, Texas, USA - Talks: Quantum oscillations in the kinetic energy density: Gradient corrections from the Airy gas (given in place of Alexander Lindmaa) [Abstract], and High-Throughput Screening of Perovskite Alloys for Piezoelectric Performance and Formability [Abstract] (Also credited on talks: Possible reasons for low open circuit voltage in pyrite (FeS2))
  • Talk: December 17, 2014 - Seminar - Theory and Modelling Christmas Conference, Linköping University, Sweden - Talk: Designing New Materials for Fun and Profit Using High-Throughput Computing.

2013

  • Invited seminar: Seminar - Bayreuth University, December 8 - 11, Bayreuth, Germany - An Exchange Energy Functional with a Derivative Discontinuity: Orbital Localization, Charge Transfer, and Band Gaps in Semi-Local Density Functional Theory
  • Invited seminar: Seminar - Fritz-Haber-Institut, October 16 - 19, Berlin, Germany - An Exchange Energy Functional with a Derivative Discontinuity: Orbital Localization, Charge Transfer, and Band Gaps in Semi-Local Density Functional Theory
  • Poster: Conference - DFT2013, September 9 - 13, Durham UK - An Exchange Energy Functional with a Derivative Discontinuity: Orbital Localization, Charge Transfer, and Band Gaps in Semi-Local Density Functional Theory [Conference link]
  • Invited seminar: Group Seminar, Helsinki University, August 21 - 23, Finland - Talk: Talk: An Exchange Energy Functional with a Derivative Discontinuity: Orbital Localization, Charge Transfer, and Band Gaps in Semi-Local Density Functional Theory
  • Contributed poster: Conference - Nordic Physics Days, June 12 - 14, Lund, Sweden - Poster: An Exchange Energy Functional with a Derivative Discontinuity: Orbital Localization, Charge Transfer, and Band Gaps in Semi-Local Density Functional Theory
  • Contributed talk : Conference - APS March meeting, March 18 - 22, 2013, Baltimore, MD, USA - An Exchange Energy Functional with a Derivative Discontinuity: Orbital Localization, Charge Transfer, and Band Gaps in Semi-Local Density Functional Theory.

2012

  • (Credited on talk: February 27 - March 2, 2012 - Conference - APS March meeting, Boston, Massachusetts, USA - Interpolation schemes for high-throughput prediction of new piezoelectric alloys [Abstract] )
  • Seminar: Linnaeus seminar organized by Linköping Linnaeus Initiative for Novel Functional Materials, May 23, 2012, Linköping University, Sweden - Saving the World With Computational Physics?: How High-Throughput Energy Material Design with Improved DFT Functionals can Help Address the Energy Crisis

2011

2010

2009

2008

  • Invited talk: International Conference of Computational Methods in Sciences and Engineering, September 25 - 30, 2008, Hotel Belvedere Imperial, Hersonissos, Crete, Greece - Calculating the Response of Molecular Chains with Semi-Local Density Functional Theory. [Conference paper] [Conference link].

2007

  • Contributed poster: Minerva-Gentner Symposium on: Time-Dependent Density-Functional Theory and Applications, December 16 - 21, 2007, Hilton Queen of Sheba, Eilat, Israel - Ultra non-local response from a semi-local functional. [Conference link]

2005

2004

  • Contributed poster: Conference - 16th Annual Workshop on Recent Developments in Electronic Structure Methods, May 27 - 30, 2004, Rutgers University, New Brunswick, NJ, USA - Recent developments of subsystem functionals: Solving the subsystem functional puzzle.

2003

  • Contributed talk: Conference - APS March meeting, March 12 - 16, 2003, Austin, TX, USA - Talk: Subsystem functionals
  • in Density Functional Theory Towards a New Class of Exchange-Correlation Functionals [Abstract]

2002

  • Attended: Workshop -Sandia National Laboratories workshop on Quantum Mechanical Techniques: Exchange-Correlation Functionals in Density Functional Theory, August 15 - 16, 2002, Wyndham Hotel at the International Sunport, Albuquerque, NM, USA. [Workshop link].
  • Contributed talk: Conference - Atomics, Sweden: Subsystem functionals, a viable way of extending DFT to even more complicated systems.

2001

  • Contributed talk: Conference - APS March meeting, March 12 - 16, 2001, Seattle, WA - Investigation of the Inverse Radius of the Exchange Hole (a Local Exchange Energy Density) for Two Simple Systems." [Abstract].
  • Contributed talk: Conference International Conference on Applied Density Functional Theory (DFT2001), January 14-17, 2001, Vienna/Austria - Investigation of the Inverse Radius of the Exchange Hole (a Local Exchange Energy Density) for Two Simple Systems. [Conference link]