General Lab Information

Summer School Talks, Material & Source Code

Lecture Talks

June 21, 2021

Gabi Kotliar: Intro to Dynamical Mean Field Theory and Electronic Structure of Correlated Materials

In this first talk in the Comscope Summer School 2021, Professor Gabi Kotliar from Rutgers University introduces the concepts and physics behind Comsuite. (Given at 10 a.m. EST.)

Andrey Kutepov: Introduction to the FlapwMBPT Electronic Structure Code

In this second talk Dr. Andrey Kutepov from Brookhaven National Laboratory introduces the physics and algorithms behind FlapwMBPT. FlapwMBPT is Comsuite's electronic structure code implementing DFT, Hartree-Fock, GW, qsGW, and GW with vertex corrections. Dr. Kutepov has been developing the FlapwMBPT code for more than ten years. (Given at 1 p.m. EST.)

June 22, 2021

Andrey Kutepov and Vincent Sacksteder: Hands-on Training with the FlapwMBPT Code, Session 1

In this third talk Dr. Andrey Kutepov from Brookhaven National Laboratory shows how to run FlapwMBPT. At the beginning of this video there is a short presentation about how to run the Comsuite software on the Comsuite Virtual Machine; this presentation was given by Dr. Vincent Sacksteder, who created the Virtual Machine. (Given at 10 a.m. EST.)

Andrey Kutepov: Hands-on Training with the FlapwMBPT Code, Session 2

In this fourth talk Dr. Andrey Kutepov from Brookhaven National Laboratory shows how to run FlapwMBPT. (Given at 1 p.m. EST.)

June 23, 2021

Sangkook Choi and Corey Melnick: Introduction to DFT+DMFT, qsGW+DMFT, and Continuous Time Monte Carlo

This fifth talk has two parts. In the first part, "Introduction to First-principles and DMFT", Dr. Sangkook Choi presents the physics and algorithms of combined DFT+DMFT and qsGW+DMFT calculations. In the second part, "Introduction to Continuous Time Monte Carlo (CTQMC)", Dr. Corey Melnick presents how the CTQMC approach solves strongly correlated impurity problems. Dr. Choi is responsible for the Comsuite code which ties together FlapwMBPT with dmft calculations, and Dr. Melnick is responsible for Comscope's CTQMC solver. (Given at 10 a.m. EST.)

Sangkook Choi and Corey Melnick: Hands-on DFT+DMFT, qsGW+DMFT, and Continuous Time Monte Carlo

This sixth talk has two parts. In the first part, "Hands-on Training with CTQMC", Dr. Corey Melnick shows how to run CTQMC, Comsuite's Continuous Time Monte Carlo solver. In the second part, "Hands-on Training with DFT+DMFT ,and qsGW+DMFT", Dr. Sangkook Choi shows how to run DFT+DMFT and qsGW+DMFT calculations with Comsuite. (Given at 1 p.m. EST.)

June 24, 2021

Nicola Lanata: Introduction to the theory of the Gutzwiller Approximation and RISB

In this seventh talk, "Introduction to the theory of the Gutzwiller Approximation and RISB", Professor Nicola Lanata from Aarhus University explains the approximations and algorithms behind the Gutzwiller Approximation approach to solving the strongly correlated impurity problem. Prof. Lanata has been instrumental in Comsuite's use of a Gutzwiller Approximation impurity solver. (Given at 10 a.m. EST.)

Yongxin Yao: Hands-on Training with DFT + Gutzwiller Approximation and qsGW + Gutzwiller

In this eighth and last talk, "Hands-on Training with DFT + Gutzwiller Approximation and qsGW + Gutzwiller", Dr. Yongxin Yao from the Ames Laboratory shows how to use ComRISB to run DFT + Gutzwiller Approximation and qsGW + Gutzwiller Approximation calculations. Dr. Yao wrote both the CyGutz Gutzwiller Approximation impurity solver, and also ComRISB which integrates CyGutz with Comsuite. Z (Given at 1 p.m. EST.)

School Material

Introduction to the FlapwMBPT Code

Andrey L. Kutepov (Given on July 21, 1 p.m. EST.)

FlapwMBPT: Input Variables

Andrey L. Kutepov (Given on July 22, 10 a.m. EST.)

Introduction to First-principles and DMFT

Sangkook Choi (Given on July 23, 10 a.m. EST. and at 1 p.m. EST.)

Continuous Time Quantum Monte Carlo (CTQMC)

Corey Melnick (Given on July 23, 10 a.m. EST.)

Hands-on ComCTQMC

Corey Melnick (Given on July 23, 1 p.m. EST.)

Quantum-embedding Formulation of the GA/RISB Equations

Nicola Lanatà (Given on July 24, 10 a.m. EST.)

ComRISB Tutorials

Yongxin Yao (Given on July 24, 1 p.m. EST.)

Comsuite Virtual Machine Material & Source Code

The Comsuite VM and the Hands-on Sessions (Vincent Sacksteder IV)

Download the Comsuite Virtual Machine from Dropbox

Download the Comsuite Virtual Machine from Google Drive

Need Assistance?

Please contact the summer school coordinator if you have questions or would like further information.

Eileen Levine


(631) 344-3995
(631) 344-2739
elevine@bnl.gov