Atomic Scale Materials Modelling

Activities

Activities per year 2010 2014 2015 2016 2024

• 97 Conference presentations
• 17 Participating in or organising workshops, courses, seminars etc.
• 8 Participating in or organising a conference
• 7 Peer review of manuscripts
• 16 More
  • 6 Visiting another research institution
  • 2 External examination
  • 2 Membership in review committee
  • 2 Guest lectures, external teaching and course activities at other universities
  • 1 Examination
  • 1 Hosting a guest lecturer
  • 1 Membership of commitees, commissions, boards, councils, associations, organisations, or similar
  • 1 Other

Activities per year

Search results

• Improved Accuracy of Density Functional Theory Calculations for CO2 Reduction and Metal-Air Batteries

  Christensen, R. (Lecturer)

  19 Aug 2015

  Activity: Talks and presentations › Conference presentations

• International Conference on Innovative Electrochemical Energy Materials and Technologies

  Reda, M. (Speaker)

  8 Nov 2015 → 11 Nov 2015

  Activity: Talks and presentations › Conference presentations

• Computational Design of Materials for Energy Conversion and Storage

  Vegge, T. (Invited speaker)

  20 Nov 2015

  Activity: Talks and presentations › Conference presentations

• Electricity Storage in Batteries

  Vegge, T. (Invited speaker)

  28 Sept 2015

  Activity: Talks and presentations › Conference presentations

• International Conference on Innovative Electrochemical Energy Materials and Technologies

  Reda, M. (Speaker)

  8 Nov 2015 → 11 Nov 2015

  Activity: Talks and presentations › Conference presentations

• Accelerated DFT-based Design of Materials for Ammonia Storage

  Vegge, T. (Invited speaker)

  15 Dec 2015

  Activity: Talks and presentations › Conference presentations

• Materials for Energy Storage – and how DFT can improve them

  Vegge, T. (Invited speaker)

  24 Aug 2015 → 28 Aug 2015

  Activity: Talks and presentations › Conference presentations

• 4th Metal-air Workshop

  Christensen, R. (Speaker)

  14 Sept 2015 → 15 Sept 2015

  Activity: Talks and presentations › Conference presentations

• Annual Meeting of the Danish Electrochemical Society 2015

  Reda, M. (Speaker)

  1 Oct 2015 → 2 Oct 2015

  Activity: Talks and presentations › Conference presentations

• DFT Studies of the Oxygen Reduction Reaction on Fe3C-graphite catalysts

  Hansen, H. A. (Keynote speaker)

  10 Nov 2015

  Activity: Talks and presentations › Conference presentations

• Atomic-scale modeling of materials for hydrogen-based energy storage

  Vegge, T. (Invited speaker)

  22 Jun 2015 → 26 Jun 2015

  Activity: Talks and presentations › Conference presentations

• Descriptor based Design of Catalytic Nanoalloys and Clusters using Density Functional Theory and Genetic Algorithms

  Vegge, T. (Invited speaker)

  26 Oct 2015 → 29 Oct 2015

  Activity: Talks and presentations › Conference presentations

• 227th ECS Meeting

  Christensen, R. (Speaker)

  24 May 2015 → 28 May 2015

  Activity: Talks and presentations › Conference presentations

• ELECTROCHEMICAL CONVERSION OF CO2 INTO LIQUID FUEL ON RuO2 (110) OVERLAYERS

  Bhowmik, A. (Lecturer)

  2 Oct 2015

  Activity: Talks and presentations › Conference presentations

• Materials Predictors and Genetic Algorithms for Rational Design of Electrocatalytic Nanoparticles

  Vegge, T. (Invited speaker)

  7 Jan 2015 → 11 Jan 2015

  Activity: Talks and presentations › Conference presentations

• Overpotentials and Transport Mechanisms in Metal-air Batteries

  Vegge, T. (Invited speaker)

  12 Nov 2014

  Activity: Talks and presentations › Conference presentations

• Electrochemical Energy Storage and Electrofuels

  Vegge, T. (Invited speaker)

  17 Aug 2014 → 23 Aug 2014

  Activity: Talks and presentations › Conference presentations

• QENS 2014 / WINS 2014

  Blanchard, D. (Speaker)

  13 May 2014

  Activity: Talks and presentations › Conference presentations

• Positron Annihilation Spectroscopy on LiBH4 and LiBH4:LiI superionic lithium conductors

  Eldrup, M. M. (Lecturer)

  13 Nov 2014

  Activity: Talks and presentations › Conference presentations

  File

• CIMTEC 2014

  Blanchard, D. (Speaker)

  18 Jun 2014

  Activity: Talks and presentations › Conference presentations

• Computational Search for Improved Ammonia Storage Materials

  Jensen, P. B. (Lecturer)

  19 Jun 2014

  Activity: Talks and presentations › Conference presentations

  File

• Metal-air Batteries: Fundamental Mechanisms and Limitations

  Vegge, T. (Invited speaker)

  4 Nov 2014 → 6 Nov 2014

  Activity: Talks and presentations › Conference presentations

• Designing New Materials for Ammonia Storage Using Density Functional Theory and Genetic Algorithms

  Jensen, P. B. (Lecturer)

  14 May 2014

  Activity: Talks and presentations › Conference presentations

  File

• Materials Predictors and Genetic Algorithms for Rational Design of Electrocatalytic Nanoclusters

  Vegge, T. (Invited speaker)

  16 Jun 2014 → 21 Jun 2014

  Activity: Talks and presentations › Conference presentations

• Computational of Nanoparticle Catalysts for Sustainable Production of Synthetic Fuels

  Vegge, T. (Invited speaker)

  16 Feb 2014 → 21 Feb 2014

  Activity: Talks and presentations › Conference presentations

• Atomic-scale modeling in fuel cell, electrolyser and battery research; Transport modeling in batteries -ionic and electronic transport; Beyond Li-ion - resource-efficient batteries

  Vegge, T. (Invited speaker)

  22 Sept 2014 → 26 Sept 2014

  Activity: Talks and presentations › Conference presentations

• Designing Nanoparticle Electrocatalysts for Sustainable Production of Synthetic Fuels

  Vegge, T. (Invited speaker)

  1 Jul 2014 → 3 Jul 2014

  Activity: Talks and presentations › Conference presentations

• Combined computational and experimental study of the role of CO2 poisoning on the electronic conduction and overpotentials in Li-air batteries

  Vegge, T. (Invited speaker)

  4 Dec 2013 → 5 Dec 2013

  Activity: Talks and presentations › Conference presentations

• Computational screening of mixed metal halide ammines

  Jensen, P. B. (Lecturer)

  17 Sept 2013

  Activity: Talks and presentations › Conference presentations

• Nanostructured materials for solid-state hydrogen storage – WG4: Computational modeling

  Vegge, T. (Invited speaker)

  25 Jan 2013

  Activity: Talks and presentations › Conference presentations

• Calculational and experimental study of the role of CO2 poisoning on the electronic conduction and overpotentials in Li-air batteries

  Vegge, T. (Speaker)

  27 Oct 2013 → 31 Oct 2013

  Activity: Talks and presentations › Conference presentations

• Functional dependenterrors in DFT calculations for Li-air batteries

  Christensen, R. (Speaker)

  9 Sept 2013

  Activity: Talks and presentations › Conference presentations

• Computational screening and design of energy materials – navigating vast phase spaces

  Vegge, T. (Invited speaker)

  24 Jun 2013 → 28 Jun 2013

  Activity: Talks and presentations › Conference presentations

• Electrochemical Energy Storage - Batteries

  Vegge, T. (Invited speaker)

  14 Nov 2013

  Activity: Talks and presentations › Conference presentations

• Materials for energy storage – screening and evolution

  Vegge, T. (Invited speaker)

  25 Jun 2013 → 30 Jun 2013

  Activity: Talks and presentations › Conference presentations

• International Energy Agency

  Blanchard, D. (Speaker)

  21 Apr 2013 → 25 Apr 2013

  Activity: Talks and presentations › Conference presentations

• Computational screening of mixed metal halide ammines

  Jensen, P. B. (Lecturer)

  8 Apr 2013

  Activity: Talks and presentations › Conference presentations

• Materials Predictors and Genetic Algorithms for Design of Nanoparticle Activity and Stability

  Vegge, T. (Invited speaker)

  3 Sept 2013 → 7 Sept 2013

  Activity: Talks and presentations › Conference presentations

• Rotational and translational diffusion in materials for energy storage from QENS and DFT calculations

  Vegge, T. (Invited speaker)

  25 Jun 2012 → 29 Jun 2012

  Activity: Talks and presentations › Conference presentations

• Computational techniques for efficient design of nanoparticles and complex materials for energy storage

  Vegge, T. (Lecturer)

  13 Jun 2012 → 18 Jun 2012

  Activity: Talks and presentations › Conference presentations

• Computational Screening of Mixed Metal Halide Ammines

  Jensen, P. B. (Lecturer)

  4 Dec 2012

  Activity: Talks and presentations › Conference presentations

• Metal Borohydrides for Hydrogen Storage: A Review

  Blanchard, D. (Invited speaker)

  21 Oct 2012

  Activity: Talks and presentations › Conference presentations

• In situ XRPD studies of Li intercalation in graphite in working Li-ion batteries: Session: MS13 - Energy related materials

  Johnsen, R. E. (Lecturer)

  6 Aug 2012 → 11 Aug 2012

  Activity: Talks and presentations › Conference presentations

• Reversible Lithium-Air Batteries

  Vegge, T. (Lecturer)

  10 Aug 2012

  Activity: Talks and presentations › Conference presentations

• Computational investigations of the electronic transport in lithium-air battery materials

  Vegge, T. (Speaker)

  7 Oct 2012 → 12 Oct 2012

  Activity: Talks and presentations › Conference presentations

• Computational Design of Materials for Energy Storage

  Vegge, T. (Invited speaker)

  11 Aug 2012 → 17 Aug 2012

  Activity: Talks and presentations › Conference presentations

• Nanostructured materials for solid-state hydrogen storage - MPNS COST Action MP1103

  Blanchard, D. (Speaker)

  13 Feb 2012 → 15 Feb 2012

  Activity: Talks and presentations › Conference presentations