Time: May 30 - Jun. 1, 2019
Venue: Kavli ITS, UCAS Teaching Building
No. 3 Zhong-Guan-Cun Nan-Yi-Tiao Rd., Haidian Dist., Beijing [View Map]
Workshop handbook download (Updated May 29)
Conference Announcement (Chinese)
Scope:
The Workshop intends to review recent advances in exchange-correlation functionals, GW, novel approaches, Van der Waals interactions, large-scale and multiscale developments, machine learning, DFT implementations in new areas, etc. Invited speakers will highlight both recent advances and remaining challenges.
Call for abstract & posters:
For Speakers: please submit the abstracts of your talk and it will be in the workshop booklet, available for all participants.
For registered audiences: Please submit your abstracts or posters, and the workshop committee will select a small number of abstracts for a short oral presentation (15-20 min). Most of the abstracts will be also presented as form of posters to allow more time for discussion.
All presentations will be given in English. Please email your abstracts to Peiming Yan (yanpeiming@ucas.edu.cn). Abstracts must be submitted before Apr. 1, 2019.
If you have any questions, please contact (yanpeiming@ucas.edu.cn).
Registration:
Guests from physics and related communities are all welcome and there is no registration fee. We do require pre-registration to prepare the lunch and print workshop program. Please send you name, title, affiliations, email to Peiming Yan (yanpeiming@ucas.edu.cn).
Accommodations & Food:
Invited speakers will accommodate in Liaoning International Hotel (about 1 km from Kavli ITS, view accommodation & transportation info. here). Other attendants need to find room by him/her-self. We provide coffee/deserts in the break time of the workshop. Free lunches are also provided for the PRE-REGISTED attendants.
Program (Click on topics to watch the video)
May 30, Thursday | Room S106 | |||
[Session 1] Chair: S. T. Pantelides (Vanderbilt Univ.) | |||
09:00-09:40 |
Steven G. Louie (UCBC) |
Many-electron correlations in multiple-particle excitations and nonlinear opticalprocesses in materials | |
09:40-10:20 |
Myrta Gruening (QUB) |
Nonlinear optics from first-principles real-time approaches | |
10:20-10:50 | Coffee Break | ||
[Session 2] Chair: S. G.Louie (UCSB) | |||
10:50-11:30 |
Weitao Yang (Duke Univ.) |
Analysis and elimination of the delocalization and static/strong correlation error indensity functional approximations | |
11:30-12:10 |
Patrick Rinke (Aalto Univ.) |
GW and beyond: Core excitations, strong correlation and artificial intelligence | |
12:10-14:00 | Lunch & Break | ||
[Session 3] Chair: S. X.Du (IOP, CAS) | |||
14:00-14:40 |
Xinguo Ren (USTC) |
Periodic GW and RPA methods within a numeric atomic-centered basis set framework | |
14:40-15:20 |
James R. Chelikowsky (Univ. of Texas) |
Real-space numerical grid methods for electronic structure calculations—the future | |
15:20-15:50 | Coffee Break | ||
[Session 4] Chair: X. G. Zhang (Univ. of Florida) | |||
15:50-16:30 |
Jerry Bernholc (NCSU) |
Towards Exascale electronic structure and quantum transport calculations | |
16:30-17:10 |
KarstenW. Jacobsen (TUD) |
Computational screening of light absorbing materials | |
May 31, Friday | Room S106 | |||
08:45-09:00 |
Fuchun Zhang (Kavli ITS, UCAS) |
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[Session 1] Chair: W.Yang | |||
09:00-09:40 |
Xiao Zheng (USTC) |
Improving density functional calculations for molecular electron affinities | |
09:40-10:20 |
Sokrates T. Pantelides (Vanderbilt Univ.) |
Formation energies of charged defects - resolution of long-standing difficulties | |
10:20-10:50 | Coffee Break | ||
[Session 2] Chair: M.Gruening | |||
10:50-11:30 |
Xin-Zheng Li (Peking Univ.) |
On the quantum nature of the nuclei and its influence | |
11:30-12:10 |
Igor Ying Zhang (Fudan Univ.) |
Simultaneous attenuation of both self-interaction and error and nondynamic correlation error in density functional theory: A spin-pair distinctive adiabatic-connection approximation | |
12:10-14:00 | Lunch & Break | ||
[Session 3] Chair: Y.Y. Zhang (UCAS) | |||
14:00-14:40 |
Xiaoguang Zhang (Univ. of Florida) |
Multi-phonon processes in solids from first-principles | |
14:40-15:20 |
Wenjian Liu (Peking Univ.) |
Recent advances in TD-DFT | |
15:20-16:00 |
Jan Hermann (FreieUniversität) |
Unifyingdensity-functional and interatomic approaches to van der Waals interactions | |
16:00-17:50 | [Poster Session] | ||
Jun. 1, Saturday | Room S101 | |||
[Session 1] Chair: W.Duan(Tsinghua Univ.) | |||
09:00-09:40 |
Xin Xu (FudanUniv.) |
The XYG3 type of doubly hybrid density functionals: From molecular systems to extendedsolids | |
09:40-10:20 |
Martin Head-Gordon (UCBC) |
Progress and problems in the design of density functionals | |
10:20-10:50 | Coffee Break | ||
[Session 2] Chair: P.Rinke | |||
10:50-11:30 |
Andreas Görling (Univ. of Erlangen-Nuremburg) |
Opening up new areas for density-functional theory by orbital-dependent exchange-correlation functionals | |
11:30-12:10 |
Julien Toulouse (SorbonneUniv.) |
Multideterminant density-functional theory for strong correlation |
Organizational Committee
Sokrates T. Pantelides | Vanderbilt University |
Roberto Car | Princeton University |
Shixuan Du | Institute of Physics |
Wenhui Duan | Tsinghua University |
Xingao Gong | Fudan University |
Steven Louie | University of California, Berkeley |
Patrick Rinke | Aalto University |
Useful Links:
Reimbursements Guid - Cash (For invited speakers)
Accommodation & Transportation