26 March 2025 ONLINE
Évora
Europe/Lisbon timezone

Meeting Program

Times in GMT+1/UTC+1 Time-zone

Day 1 (March 26)

14:00-14:10: Meeting start & welcome

14:10-14:40: (Opening talk) 'VASP: present and future' , Pedro Melo, VASP Software GmbH 

14:50-15:15: (Invited talk) 'Electrocatalysis of MXenes: On 2D Materials and Single-Atom Catalysts', Kai S. Exner, University of Duisburg-Essen

15:20-15:45: (Invited Talk) 'Understanding TiO$_2$ surface reactivity: a synergistic approach with spectroscopy and DFT modeling', Lorenzo Mino, Università di Torino

15:50-16:15: (Invited Talk) 'Modelling of lubricant additives from first principles',  Chiara Gattinoni, King's College of London

16:10-16:30 Coffee Break

16:30-16:55: (Invited talk) 'Exploring the Photoactive Properties of MXenes for Water Splitting', Diego Ontiveros Cruz, University of Barcelona

17:00-17:20: Poster Session (5 minutes each poster)

  • 'Local effects of Cd doping on h-YMO multiferroic manganite', Anastasia Burimova, Instituto de Pesquisas Energéticas e Nucleares de São Paulo
  • 'Design principles for functional materials with extreme lattice conductivity for thermal energy applications', Rakesh Chand, RGUKT Basar 
  • 'Study of Hydrogen Impurities on NdFeO3', Muhammad Aasim, IFIMUP University of Porto

17:30-17:55: (Invited Talk) 'TBA', Geoffroy Hautier, Dartmouth Engineering Faculty

18:00-18:25: (Invited talk) 'Modelling Nuclear Materials', Marco Molinari, Huddersfield University

18:30-18:45: Meeting Summary & Discussion

18:45 Farewell and end of the meeting