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Displaying 25 speakers out of 25
ALLAHYARI, Zahed
“Coevolutionary search for optimal materials in the space of all possible compounds
ARTEM OGANOV, ZAHED ALLAHYARI
USPEX
USPEX
BALETTO, Francesca (King's College)
Modelling structural changes at the nanoscale: the fluxionality of metallic nanoparticles
DERINGER, Volker (University of Cambridge)
From Machine Learning Interatomic Potentials to Crystal Structure Prediction
EMINE KUCUKBENLI
Lab - Morning session
Quantum Espresso
GEORG SCHUSTERITSCH
AIRSS
GHIRINGHELLI, Luca (FHI, Max-Planck-Gesellschaft)
Data-driven cartography of materials properties
GLAZER, Mike (University of Oxford)
ICTP Colloquium on Crystallography: Then, Now, and …..?
GOEDECKER, Stefan (University of Basel)
Exploring the potential energy surface of synthesizable and non-synthesizable clusters with the Minima Hopping method
HONG, Ki-Ha (Hanbat National University)
Density functional studies on compositional mixing of metal-halide perovskites
ISAYEV, Olexandr (University of North Carolina at Chapel Hill)
Neural networks learning quantum chemistry
KUCUKBENLI, Emine (SISSA)
Potential of Neural Networks for Crystal Structure Prediction of Molecular Crystals
KVASHNIN, Alexander (Skolkovo Institute of Science and Technology)
Computational search for supermaterials with optimal properties
MARTONAK, Roman (Comenius University Bratislava)
Beyond SiO2: New tetrahedral and octahedral structures in IV-VI compounds
MONACELLI, Lorenzo (INFN Roma 1)
Self-consistent harmonic approximation: an efficient tool to evaluate the phase diagram with thermal and quantum nuclear fluctuations in crystals
NADEN ROBINSON, Victor (ICTP)
Searching for mixtures of planetary ices
OGANOV, Artem (Skolkovo Institute of Science and Technology)
Computational Materials Discovery using USPEX Method/Code
PIAGGI, Pablo (EPF Lausanne, and USI)
Entropy as a tool for crystal discovery
PICKARD, Chris (University of Cambridge)
Random search - challenges and new directions
SAITTA, Marco (Sorbonne University)
Navigating at will on the water phase diagram: nucleation, amorphisation, phase transitions
SCHUSTERITSCH, Georg (University of Cambridge)
Random Search for Interface Structure Prediction - Computational Discovery Going Beyond Crystals
TRIBELLO, Gareth (Queen's University Belfast)
Calculating the surface excess free energy
VILLARS, Pierre (MPDS Material Phases Data System)
The Importance of the Mendeleev (Periodic) Number in Crystal Structure Prediction - a Data-Centric Approach
WANG, Xiaoli (Linyi University)
TBA
ZHU, Qiang (University of Nevada)
A computational survey on the inorganic electrides from first-principles crystal structure prediction and data mining

Organizers

Artem Oganov (Skolkovo Institute of Science and Technology, Russia), Alessandro Laio (SISSA), Gautam Desiraju (IISc Bangalore, India), Local Organiser: Sandro Scandolo

Co-sponsors