Recent Seminars

2016
  • ENGE 2016 Conference, Jeju (South Korea), November 6-9 2016, The electronic structure of the oxygen species active in ethylene epoxidation on Ag
2015
  • FISMAT 2015, Palermo (Italy), 28 Sept - 02 Oct 2015, DFT modeling of water oxidation: from molecular catalysts to surface oxides.
  • ICTP "Workshop on Materials Science for Energy Storage", Trieste (Italy), 11-15 May 2015, DFT modeling of water oxidation: from molecular catalysts to surface oxides.
2014
  • Yonsei University, Seoul (Korea), November 20 2014, The Ag catalyst for ethylene epoxidation: insights from DFT calculations.
  • ENGE 2014 Conference, Jeju (South Korea), November 16-18 2014, DFT modeling of water oxidation: from molecular catalysts to surface oxides. 
  • University of Kathmandu (Nepal), Department of Physics, 10 October 2014, DFT modeling of water oxidation: from molecular catalysts to surface oxides. 
  • CECAM Workshop "From the Chemical Bond to the Chemical Plant: Computational and Materials Challenges in Gas Conversion Technologies", Bangalore (India), August 25-28 2014, The Ag catalyst for ethylene epoxidation: insights from DFT calculations. 
  • ICTP Workshop "Material Challenges in Devices for Solar Fuel Production and Employment", Trieste (Italy), 19-23 May 2014, DFT modeling of water oxidation: from molecular catalysts to surface oxides.
2012

  •  ICTP School "Numerical methods for materials science related to renewable energy applications", Trieste (Italy), 26-30 Nov. 2012, (a) First-principles modeling of electrochemical reactions for solar-to-fuel energy storage; (b) Ab-initio modeling of Ru-based homogeneous catalysts for water oxidation.
  • CECAM Conference "Energy from the sun: Computational chemists and physicists take up the challenge", Chia (Italy), 10-14 Sept. 2012, Ab-initio modeling of water oxidation catalysts: Ru4-POM and Co-Pi (PDF)
  • Politecnico di Milano, Milan (Italy), 15 June 2012, The system chemistry of an alloy catalyst: insights from DFT calculations (PDF).
  • MRS2012 Spring Meeting, San Francisco (USA) 9-13 April 2012, Ab-initio modeling of Ru-based homogeneous catalysts for water oxidation (PDF).

2011

  • ICTP-SISSA Workshop on New Materials for Renewable Energy, Trieste (Italy) 17-21 October 2011, (a) First-principles modeling of electrochemical reactions for solar-to-fuel energy storage; (b) Ab-initio modeling of Ru-based homogeneous catalysts for water oxidation (Video recordings available though ICTP-TV).
  •  Psi-k/CECAM Catalysis from first-principles, Magleås (Denmark) 23 May 2011, First-principles modelling of water oxidation catalyzed by a Ru-polyoxometalate (PDF).

2010

  • Psi-k conference, Berlin (Germany), 13 September 2010, First-principles thermochemistry of water oxidation catalyzed by a tetraruthenium-oxo core [Ru4O6]4+ (PDF).
  • APS March Meeting, Portland (USA), 17 March 2010, Water splitting for energy storage: first principles insights into the reaction mechanism of Ru-based homogeneous catalysts (PDF).

2009

  • Psi-k workshop "Catalysis from first principles", Vienna (Austria), 26 May 2009, The system chemistry of an alloy catalyst: insights from DFT calculations (PDF).
  • APS March Meeting, Pittsburgh (USA), 18 March 2009, Morphology of alloy catalysts in an oxidizing environment: Structure sensitivity of ethylene epoxidation over Ag-Cu particles (PDF).