October 10
Time | Activity | Host |
08:00-08:40 | Opening Ceremony and Group Photo | Wang Junjie |
Academic Presentations
Time | Speaker | Presentation | Chair |
08:40-09:20 | Specially invited talk: Hideo Hosono | Materials Science and Application of Inorganic Electrides | Artem R. Oganov |
09:20-09:50 | Invited talk: Naoto Umezawa | Role of point defects in electrical and optical properties of semiconductors | |
09:50-10:20 | Invited talk: Tomofumi Tada | Recent developments in atomistic simulations for new compound search with energetics and multi-scale dynamics with kinetics | |
10:20-10:40 | Coffee Break | ||
10:40-11:20 | Specially invited talk: Artem R. Oganov | Computational Materials Discovery | RIGNANESE Gian-Marco |
11:20-11:50 | Invited talk: Xiangfeng Zhou | Discovery of two-dimensional copper boride | |
11:50-12:20 | Invited talk: Huiyang Gou | Advancing Materials Functionalities Aided by Pressure: from Hard Materials to Electrides | |
12:20-14:10 | Lunch | ||
14:10-14:50 | Specially invited talk: Su-huai Wei | First Principles Design of Materials for Optoelectronic Device Applications | Hideo Hosono |
14:50-15:20 | Invited talk: Wei Zhang | Materials modeling and design of chalcogenides for non-volatile memory and neuro-inspired computing | |
15:20-15:40 | Invited talk: LiPeng Zhang | Metal-free carbon based catalysts design and prediction for oxygen reduction reaction based on machine learning methods | |
15:40-16:00 | Coffee Break | ||
16:00-16:40 | Specially invited talk: Vladislav A. Blatov | Materials prediction: a combination of topological and DFT approaches | Tomofumi Tada |
16:40-17:10 | Invited talk: Alexander Shevchenko | Prediction of the structure of coordination compounds by topological methods | |
17:10-17:50 | Specially invited talk: Gian-Marco Rignanese | Accelerating materials discovery through high-throughput ab initio calculations and data mining | Su-huai Wei |
17:50-18:20 | Invited talk: Lee A. Burton | High-throughput Identification of Electrides from All Known Inorganic Materials | |
18:30-20:30 | Reception | ||
October 11
Time | Activity | Lecture |
9:00-9:15 | Welcome and Introduction | A. R. Oganov |
9:15-10:45 | Lecture “Crystal structure prediction and the USPEX code” | |
10:45-11:00 | Coffee break | |
11:00-12:30 | Exercises “ Installation party: first steps with USPEX version 10.3 and Getting started: USPEX INPUT; predicting ambiant and high pressure phases with USPEX” | A. R. Oganov |
12:30-14:00 | Lunch | |
14:00-15:30 | Exercises “Variable-composition structure prediction + Multi-objective” | A. R. Oganov，E.Tikhonov |
15:30-15:45 | Coffee break | |
15:45-17:15 | A.R. Oganov, E.Tikhonov | |
17:15-18:00 | Q&A | |
October 12
Time | Activity | Lecture |
9:00-9:15 | Welcome and Introduction | |
9:15-10:45 | Lecture “Methods, software, and databases for crystallochemical analysis” | V.A. Blatov |
10:45-11:00 | Coffee break | |
11:00-12:30 | Exercises “Introduction to ToposPro.” | V.A.Blatov, A.P.Shevchenko |
12:30-14:00 | Lunch | |
14:00-15:30 | Exercises “Visualization and topological identification of nets with ToposPro.” | V.A.Blatov, A.P.Shevchenko |
15:30-15:45 | Coffee break | |
15:45-17:15 | Exercises “Working with the ToposPro Online Services. Data mining and knowledge databases in crystal chemistry and materials science” | V.A. Blatov, A.P.Shevchenko |
17:15-18:00 | Q&A | |
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