Zhenglu Li receives 2021 APS Nicholas Metropolis Award for Outstanding Doctoral Thesis Work in Computational Physics

Dr. Zhenglu Li receives 2021 APS Nicholas Metropolis Award for Outstanding Doctoral Thesis Work in Computational Physics:

For the development and highly-scalable implementation of novel first-principles GW perturbation theory methods to compute electron-phonon coupling with many-electron correlation effects included, and its applications to phonon-induced phenomena in oxide superconductors.


For more information, please refer to the Award link: https://www.aps.org/programs/honors/prizes/prizerecipient.cfm?last_nm=Li&first_nm=Zhenglu&year=2021

Hybertsen-Louie ab initio GW paper is selected as one of its Milestone collection of papers by Physical Review B in celebration of its 50th anniversary

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The paper Phys. Rev. B 34, 5390 (1986) by Mark S. Hybertsen and Steven G. Louie on ab initio GW approach has been selected by Physical Review B as one of its Milestone collection of papers in celebration of its 50th anniversary. Congratulations!

Physical Review B is celebrating its 50th anniversary in 2020. The journal has excelled in front-edge coverage of condensed matter and materials physics research. As part of the celebration, in 2020 the editors are presenting a Milestone collection of papers that have made lasting contributions to condensed matter physics. The Hybertsen-Louie paper is selected for:

“The present PRB Milestone gives a full exposition of the methodology for an original first-principles approach to electronic excitation energies, incorporating the GW approximation directly into solid-state electronic structure theory and demonstrating its advantages for semiconductors and insulators.

Since 1986, the GW approximation has been successfully implemented for the computation of electronic excitation energies in a broad array of materials, including bulk solids, surfaces, and nanostructures such as carbon nanotubes. Many-body perturbation theory has become a mainstream approach in the electronic structure community. The large-scale efforts that have been invested into the development, improvement, and implementation of the GW method have transformed it into the state-of-the-art approach for the accurate description of excitations in weakly correlated molecular systems and solids.”

For more information, please refer to the announcement website: https://journals.aps.org/prb/50th

GPU Acceleration of BerkeleyGW has been selected as a finalist for the 2020 Gordon Bell Prize

Our work “Accelerating large-scale excited-state GW calculations on leadership HPC systems” (authored by M. Del Ben, C. Yang, Z. Li, F. H. da Jornada, S. G. Louie, and J. Deslippe) has been selected as a finalist for the 2020 Gordon Bell Prize. In this work, the GPU-accelerated BerkeleyGW has been successfully running at full scale of the Summit machine at Oak Ridge Leadership Computing Facility, utilizing 27,648 GPUs, and reaching 105.9 petaFLOP/s in double precision, 52.7 of the machine peak. A silicon divacancy structure of over 2,700 atoms and over 10,000 electrons is solved with a time-to-solution of 10 minutes.

News releases:



This work has been presented at the virtual SC20 meeting. The video presentation is available at: https://youtu.be/lMOg-oFVCWg

Prof. Steven G. Louie receives the 2020 Benjamin Lee Professorship Award of the Asian-Pacific Center for Theoretical Physics (APCTP)

Prof. Steven G. Louie receives the 2020 Benjamin Lee Professorship Award of the Asian-Pacific Center for Theoretical Physics (APCTP). Congratulations!

Benjamin Lee distinguished professorship is created in honor of Korea’s foremost theoretical physicist, late Benjamin Lee, who had a distinguished career in particle physics theory. The Visiting Professorship is intended to invite a theoretical physicist of international prominence to stay at the APCTP and Korea, and provide opportunities for the domestic scientists and graduate students to interact with a world-caliber theoretical physicist in their fields of study. (Prof. Louie’s visit is delayed due to COVID-19 pandemic.)

For more information, please refer to the Benjamin Lee Distinguished Professorship Award website: https://www.apctp.org/sub02/index84.php?mcode=84

2019 C2SEPEM Scientific Advisory Board Meeting November 15 – 16

The Center for Computational Study of Excited-State Phenomena in Energy Materials (C2SEPEM) held the Scientific Advisory Board (SAB) meeting on November 15 – 16 at Molecular Foundry at LBNL. The following world-renowned scientists have committed to serving on our SAB:

  • Prof. Roberto Car (Princeton)
  • Prof. Giulia Galli (Univ. of Chicago)
  • Prof. Tony Heinz (Stanford)
  • Dr. Mark Hybertsen (Brookhaven Lab)
  • Prof. Angel Rubio (Director, Max Planck Institute, Hamburg)
  • Prof. Lin Lin (UC Berkeley)

The meeting agenda is provided below:

Scientific Advisory Board Meeting

Lawrence Berkeley National Laboratory

Building 67, Room 3111, 1 Cyclotron Road, Berkeley, CA 94720

Friday–Saturday, November 15–16, 2019


Friday Morning Schedule

7:45 AM                     Shuttle Pickup at Hotel Shattuck Plaza, Downtown Berkeley

8:00 – 8:30 AM          Registration, Discussion and Breakfast

8:30 – 9:15 AM          Talk 1: Overview: Steven Louie (35+10 mins) – Overview of C2SEPEM: Vision, Strategy and Progress

9:15 – 9:45 AM          Talk 2: Felipe da Jornada (25+5 mins) – New Ab Initio Formalisms for Excited-State Phenomena

9:45 – 10:15 AM        Talk 3: Diana Qiu (25+5 mins) – Validation and Applications of Excited-State Codes for Energy Materials

10:15 – 10:45 AM      Break

10:45 – 11:15 AM      Talk 4: Eran Rabani (25+5 mins) – Stochastic Methods for Ground and Excited States

11:15 – 11:45 AM      Talk 5: Mauro del Ben (25+5 mins) – Algorithms and Codes for HPC: Towards Exascale Computing

11:45 AM – 1:00 PM  Lunch and Discussions

Friday Afternoon Schedule

1:00 –1:30 PM            Talk 6:  Chao Yang (25+5 mins) – Applied Mathematics and Numerical Methods Development in C2SEPEM

1:30 – 2:00 PM           Talk 7: Feng Wang (25+5 mins) – Probing Berry Curvature by Intra-Exciton Optical Stark Effect

2:00 – 2:30 PM           Talk 8: Summary: Steven Louie (25+5 mins) – Future Directions for C2SEPEM

Short Scientific Highlight Talks

2:30 – 2:45 PM           Highlight 1: Yang-Hao Chan (12+3 mins) –Excitonic Effects in Optical-Field-Driven Quasi-2D Materials from Time-Dependent GW Approach

2:45 – 3:00 PM           Highlight 2: Weiwei Gao (12+3 mins) – Accelerating Time-Dependent Density Functional Theory and GW Calculations Using Interpolative Separable Density Fitting

3:00 – 3:15 PM           Highlight 3: Marina Filip (12+3 mins) – Dynamically Screened Excitons in Heteropolar Lead-Halide Perovskites

3:15 – 3:45 PM           Break

3:45 – 4:00 PM           Highlight 4: Zhenglu Li (12+3 mins) – Linear-Response GW Perturbation Theory: Method and Electron-Phonon Coupling in Oxide Superconductors

4:00 – 4:15 PM           Highlight 5: Jonah Haber (12+3 mins) – Phonon-Limited Exciton Coherence Times and Diffusion in Crystalline Tetracene

4:15 – 4:30 PM           Highlight 6: Wenjie Dou (12+3 mins) – Stochastic Resolution of Identity to Imaginary and Real-Time Second-Order Green’s Function: Ground-State and Quasi-Particle Properties

4:30 – 4:45 PM           Highlight 7: Wenfei Li (12+3 mins) – Application of Linear-Scaling Stochastic-GW Method to Bilayer Heterojunctions of Transition-Metal Dichalcogenides

4:45 – 5:00 PM           Highlight 8: Chenchen Song (12+3 mins) – Stochastic Time-Domain Formulation of Bethe-Salpeter Equation

5:00 – 5:15 PM           Highlight 9: Zili Fan (12+3 mins) – Fractured Stochastic Exchange Operator in Density Functional Theory

5:15 – 5:30 PM           Highlight 10: Yashpal Singh (12+3 mins) – Diagonal and Low-Rank Approximation in GW Calculation

5:30 – 6:00 PM           SAB Closed Session

6:15 PM                     Shuttle to Great China Restaurant

6:30 PM                     Dinner – Great China Restaurant (corner of Bancroft and Oxford)

Saturday Schedule

7:45 AM                     Shuttle Pickup at Hotel Shattuck Plaza, Downtown Berkeley

8:00 – 8:30 AM          Breakfast and Discussions

8:30 – 9:00 AM          Round Table Discussion with Young Researchers and SAB

9:00 – 10:30 AM        SAB Executive Session and Preparation of Report (Closed Session)

10:30 – 11:00 AM      SAB and Management Team Meeting

In Parallel           

9:00 – 11:00 AM        Postdocs/Students Interactions and Discussions

11:00 – 12:00 PM       Lunch and Discussions

12:00 PM                    Adjournment of SAB