Times in WET Time zone = GMT+0/UTC+0
November 4
14:00-14:10: Meeting start & welcome
14:10-14:40: (Opening talk) 'Back to the Future with VASP: Core Features, Old and New' , Pedro Melo, VASP Software GmbH
14:50-15:10: (Invited talk) 'Modelling point-defect equilibria and defect association in the CuInSe2 chalcopyrite: native and extrinsic defects', Apostolos Marinopoulos, Faculty of Science and Technology of the University of Coimbra
15:15-15:30: (Contributed Talk) 'Engineering Ultra-Low Lattice Thermal Conductivity via Mass Contrast and bonding heterogenity: A Lattice Dynamics Approach for Advanced Thermoelectrics', Rakesh Chand, Rajiv Gandhi University of Knowledge Technologies
15:35-15:50: (Contributed Talk) 'Magnetic Weyl Semimetals in Quaternary Heusler Alloys: From Topology to Anomalous Transport ', Mukhtiyar Singh, Delhi Technological University
15:55-16:30 Coffee Break
16:30-16:50: (Invited talk) 'From over‑reactive to inactive: Oxygen coverage as the governing control parameter in MXene catalysis', Jose Gomes, CICECO - University of Aveiro
16:55-17:10: (Contributed Talk) 'First-Principles Investigation of Structural, Electronic, and Optical Properties of Brannerite-Type CeTi₂O₆: The Role of Oxygen Vacancies', Zaineb Gaieb, Faculty of Science at Monastir
17:15-17:30: (Contributed Talk) 'Interfacial charge transfer, magnetism, and topological properties in 3d/5d LaBO$_3$/SrIrO$_3$ superlattices (B = Mn, Fe, Co, Ni)', Samir Rom, HUN-REN Wigner Research Centre for Physics
17:35-17:50: (Contributed Talk) 'Impact of Explicit 4f Electron Treatment on DFT+U Local Magnetic Fields in the Rare-Earth Orthoferrites', Muhammad Aasim, IFIMUP Faculty of Science of the University of Porto
17:55-18:10: (Contributed Talk) 'DFT calculations of the properties of ZrN cubic nanostructures containing Mo, Ru and Pd impurities', David Gonzalez, University of Texas at San Antonio
18:15-18:35: (Invited Talk) 'Automated workflows for materials discovery', Alexander Ganose, Imperial College of London
18:40-19:00: Meeting Summary & Discussion
19:00 Farewell and end of the meeting
