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Jan. 7 (Sunday)
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13:30-18:00
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registration |
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Jan. 8 (Monday)
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08:00-12:00
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registration |
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Welcome Session:
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08:50-09:10
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Welcome and Opening Remarks |
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Xingao Gong, Fudan University |
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Xiangwei Jiang, National Natural Science Foundation of China |
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Session 1:
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Topic: Electronic structure-DFT |
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Chair: Hongjun Xiang, Fudan University |
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09:10-09:55
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Zero-point renormalization of electronic energies predominance |
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of non-adiabatic effects and links with polaron physics |
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Xavier Gonze, Université catholique de Louvain |
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09:55-10:40
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Electron-phonon and phonon-electron coupling |
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Samuel Poncé, Université catholique de Louvain |
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10:40-11:00
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Coffee Break & Photo Session |
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11:00-11:45
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Spectral Properties from Spectral Functionals |
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Nicola Marzari, École Polytechnique Fédérale de Lausanne |
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11:45-12:30
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Electron Transport from Electron Relaxons and Improved |
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Wannier Interpolation of Position and Other Matrix Elements |
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Cheol Hwan Park, Seoul National University |
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12:30-14:00
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Lunch |
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Session 2:
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Topic: Machine learning |
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Chair: Gian-Marco Rignanese, Université catholique de Louvain |
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14:00-14:45
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Machine-Learning-Assisted Design of Materials for Energy |
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Silvana Botti, Ruhr Universität Bochum |
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14:45-15:30
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Machine learning to generate materials and predict synthesis |
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Yousung Jung, Seoul National University |
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15:30-15:50
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Coffee Break |
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15:50-16:35
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Exploration of active machine learning for different tasks |
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Patrick Rinke, Aalto University |
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16:35-17:20
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Iron at Earth's core conditions from deep-learning-aided |
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ab-initio simulations |
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Sandro Scandolo, The Abdus Salam International Centre for |
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Theoretical Physics |
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17:20-18:05
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Crystal structure prediction method MAGUS and |
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its applications |
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Jian Sun, Nanjing University |
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18:05-20:00
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Dinner |
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Jan. 9 (Tuesday)
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Session 3:
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Topic: Excited states & many-body methods |
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Chair: Emilio Artacho, University of Cambridge |
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09:00-09:45
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Variational and structural optimization for ground |
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and excited states in quantum Monte Carlo |
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Claudia Filippi, University of Twente |
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09:45-10:30
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Overcoming Conceptual and Computational Hurdles |
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of Many-body Perturbation Theory |
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Vojtech Vlcek, UC Santa Barbara |
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10:30-10:50
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Coffee Break |
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10:50-11:35
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Ultrafast Control of Quantum Materials using Intense Laser Fields |
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Nicolas Tancogne-Dejean, Max Planck Institute for the Structure |
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and Dynamics of Matter |
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11:35-12:20
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Theoretical Studies of Semiconductors Under Working Conditions |
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of Many-body Perturbation Theory |
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Jihui Yang, Fudan University |
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12:20-14:00
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Lunch |
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Session 4:
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Topic: Magnetism |
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Chair: Wanjian Yin, Soochow University |
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14:00-14:45
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From the Fermi surface to the magnetic skyrmion lattice for |
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selected rare-earth intermetallics |
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Stefan Blügel, Forschungszentrum Jülich GmbH |
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14:45-15:30
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Spin Orbit Coupling Contribution to Anisotropic |
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Magnetic Interaction |
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Xiangang Wan, Nanjing University |
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15:30-16:15
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New Types of Kitaev Candidates And The Role of Kitaev |
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Interaction in Ordered Magnetism |
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Changsong Xu, Fudan University |
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16:15-17:30
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Poster session & Software introduction |
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17:30-20:00
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Banquet |
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Jan. 10 (Wednesday)
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Session 5:
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Topic: New theory and methods |
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Chair: Suhuai Wei, Beijing Computational Science Research Center |
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09:00-09:45
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Materials discovery, automated Wannier functions, and |
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verification of DFT codes with reproducible workflows |
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Giovanni Pizzi, Paul Scherrer Institute |
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09:45-10:30
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Ab initio artificial intelligence |
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Yong Xu, Tsinghua University |
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10:30-10:50
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Coffee Break |
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10:50-11:35
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Theory and numerical simulation of heat transport in glasses |
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Alfredo Fiorentino, Scuola Internazionale Superiore |
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di Studi Avanzati |
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11:35-12:20
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Predict Total Energy with Variational Quantum Eigensolver |
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(VQE) Algorithms |
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Zhenyu Li, University of Science and Technology of China |
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| Closing Session |
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12:20-12:30
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Closing Remarks |
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12:30-14:00
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Lunch |
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