29–31 Jul 2025
Peking University
Asia/Shanghai timezone
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Program

Tentative Schedule

July 29th

Time

Speaker

Title

Chair

9 : 00 - 9 : 40

John P. Perdew

Strong Correlation, Symmetry Breaking, and Self-Interaction Correction in Density Functional Theory: Hidden Connections?

Martin Head-Gordon

9 : 40 - 10 : 20

Weitao Yang

Development in Density Functional Approximations and Theory for Excited States

10 : 20 - 10 : 50

 

Coffee Break

 

10 : 50 - 11 : 30

Leeor Kronik

Solving the band gap and optical absorption problems of density functional theory

 Weihai Fang

11 : 30 - 12 : 10

Andreas Savin

Is Density Functional Theory the Basis of Density Functional Approximations?

12 : 10 - 13 : 30

 

Lunch

 

13 : 30 - 14 : 10

Martin Head-Gordon

Electron Correlation Theory:

Regularization, Locality and Intermolecular Interactions.

Zhigang Shuai

14 : 10 - 14 : 50

Jiali Gao

Multistate Density Functional Theory

14 : 50 - 15 : 20

 

Coffee Break

 

15 : 20 - 16 : 00

Xin Xu

Doubly Hybrid Functionals: From Molecules to Extended Materials

Weitao Yang 

16 : 00 - 16 : 30

Chen Li

Density Functional Approximations Guided by Exact Constraints

16 : 30 - 18 : 00

 

Poster Session

 

 

July 30th

Time

Speaker

Title

Chair

9 : 00 - 9 : 40

Hardy Gross

TDDFT, the OISTR effect, and the challenge of decoherence

Andreas Savin 

9 : 40 - 10 : 20

Roi Baer

Stochastic Unraveling of Open Quantum Systems for Non-Interacting Electrons

10 : 20 - 10 : 50

 

Coffee Break

 

10 : 50 - 11 : 30

Shuhua Li

Block-correlated Coupled Cluster Methods for Ground-state and Excited States of Strongly Correlated Systems

Leeor Kronik

11 : 30 - 12 : 10

Edward Valeev

Adaptive Control of Numerical Error in All-Electron Simulation of Periodic Solids

12 : 10 - 13 : 30

 

Lunch

 

13 : 30 - 14 : 10

Peter Gill

Fast Density Functional Quadrature Using the Inclusion-Exclusion Principle

 Hardy Gross

14 : 10 - 14 : 50

Wei Wu

Ab initio Computational Methods of Valence Bond Theory

14 : 50 - 15 : 20

Neil Qiang Su

Advancing Functional Theories for Strongly Correlated Systems

15 : 20 - 15 : 50

 

Coffee Break

 

15 : 50 - 16 : 30

Martin Kaupp

New DFT Approaches Beyond the Zero-sum Game: Importance of the Exact-exchange Energy Density

 Peter Gill

16 : 30 - 17 : 10

Ali Alavi

Recent developments in Transcorrelated methods

17 : 10 - 17 : 40

Zhendong Li

Entanglement-Minimized Orbitals (EMOs) for Classical and Quantum Computing

18 : 00 - 20 : 00

 

Banquet

 

 

July 31st

Time

Speaker

Title

Chair

9 : 00 - 9 : 40

Roberto Car

Molecular dynamics, machine learning, and the water phase diagram

Annabella Selloni

9 : 40 - 10 : 20

Zhigang Shuai

Hybrid: Quantum + Neural Network Approach for Molecular Wavefunction and HEOM + MPS for CISS

10 : 20 - 10 : 50

 

Coffee Break

 

10 : 50 - 11 : 30

Wenjian Liu

Unified Implementations of Relativistic Hamiltonians and Wavefunctions

Roi Baer

11 : 30 - 12 : 10

Xiaosong Li

Chirality-Driven Magnetization Emerges from Relativistic Four-Current Dynamics

12 : 10 - 13 : 30

 

Lunch

 

13 : 30 - 14 : 10

Annabella Selloni

Insights into the Chemistry of Aqueous Oxide Interfaces from Machine Learning Molecular Dynamics

Wenjian Liu

14 : 10 - 14 : 50

Hong Jiang

New Developments in Density-matrix Based Quantum Embedding Theory

14 : 50 - 15 : 20

Chenyang Li

Driven Similarity Renormalization Group with a Large Active Space

15 : 20 - 15 : 50

 

Coffee Break

 

15 : 50 - 16 : 30

Jian Liu

Nonadiabatic Field: A Conceptually New Approach for Nonadiabatic Transition Dynamics

 Roberto Car

16 : 30 - 17 : 00

Wenjie Dou

Stochastic Resolution of Identity Approach to the Coupled Cluster Theory for the Excited States of Very Large Systems

17 : 00 - 17 : 30

Shichao Sun

Direct Probe of Conical Intersection Photochemistry by Time-Resolved X-ray Magnetic Circular Dichroism

17 : 30 - 17 : 50

 

Closing Ceremony