Automated tools for many-body theory

   Back to the ESNT page


5-8 June 2023


PROGRAM   ProgESNTtoolsMBTh2023.pdf

Automated tools for many-body theory

Organizers:  P. Arthuis (TU Darmstadt, EMMI GSI), T. Duguet (CEA DPhN, ), F. A. Evangelista (Emory Univ., Atlanta, Georgia)

 The main goals of the workshop are:

1. To introduce attendants to different approaches to computer-aided derivation techniques for many-body theory,
2. To exchange ideas regarding state-of-the-art automatic derivation methods between quantum chemists and nuclear physicists,
3. To discuss open problems in the field of automatic derivation, including the factorization of tensor contractions and identification of identical terms,
4. To identify ways to make current automatic derivation tools interoperable as a way to validate, benchmark, and expand the capabilities of current codes.


The first session (morning) is devoted to introductory presentations to inform the local research community on the state-of-the-art approaches developed to tackle the many-body
problem. The following sessions are focused on specific uses of automated derivation methods.


Introductory Lectures


1. So Hirata (University of Illinois) (chemistry) Tensor Contraction Engine: Abstraction and Automated Parallel Implementation of Configuration-Interaction,

Coupled-Cluster, and Many-Body Perturbation Theories

2. Francesco Evangelista (Emory University) (chemistry) An Introduction to the History of Computer-Aided Methods in Quantum Chemistry


Talks [Chemistry: Ch. ; Condensed Matter CM ; Nuclear Physics : NP ]


• Pierre Arthuis (TU Darmstadt) (NP) Automated generation and evaluation of diagrams at play in various many-body methods


• Kris van Houcke (Ecole Normale Supérieure) (CM) Bold diagrammatic Monte Carlo


• Andreas Köhn (University of Stuttgart) (Ch) Improved and simplified orthogonalisation scheme and connected triples correction within the internally

contracted multireference coupled-cluster method


• Alexander Tichai (TU Darmstadt) (NP) Symmetry reduction of tensor networks in many-body theory

Mihály Kállay (Budapest Univ. of Technology and Economics) (Ch) String-based methods for state-selective multi reference coupled cluster


Anastasios Papadopoulos (Max-Planck-Institut für Kohlenforschung) (Ch) Automatic generation of computer codes for correlated wavefunction calculations

Martijn Reitsma and Yuli Chamorro Mena (University of Groningen) (Atomic phys.)  Relativistic coupled cluster calculations for atomic spectra


• Nicholas Rubin (Google) (Quantum Computing) A quantum computing perspective on many-body methods


• Joaquin Drut (Univ. of North Carolina) (CM) Automated algebra for the viral expansion in non-relativistic matter

• Michel Ferrero (Ecole Polytechnique ) (CM) Determinant Monte Carlo

• Christian Drischler (Ohio University) (NP) Automated code generation for Many-Body Perturbation Theory diagrams

• Michael Hanrath (Cologne University) (Ch) Generation of arbitrary order open-shell coupled cluster

• Francesco Evangelista (Emory Univ.) (Ch) Automatic derivation of fermionic many-body theories based on general Fermi vacua

• Matthias Heinz (TU Darmstadt) (NP) Diagrammatic resummations for the in-medium similarity renormalisation group method

• Eduard Valeev (Virginia Tech) (Ch) Symbolic algebra manipulations for quantum many-body physics
• Timur Tscherbul (University of Nevada) (Ch) Diagrammatic Monte Carlo for electronic correlation in molecules: high-order many-body perturbation theory
with low scaling

• Guo Chen (Rice University) (Ch) Symbolic solution for computational quantum many-body theory development



(Tentative) Schedule 





5 June





7 June


8 June 

9h15 Welcome        


S. Hirata

9h30 A. Köhn N. Rubin F. Evangelista
10h45 Break  10h30 Break Break Break

F. Evangelista 

11h A. Tichai J. Drut M. Heinz




Lunch Lunch
14h P. Arthuis 13h30 M. Kállay M. Ferrero E. Valeev
15h Break 14h30 Break Break Break
15h30 K. van Houcke 15h

A. Papadopoulos

C. Drischler T. Tscherbul
16h30 End 16h

M. Reitsma/

Y. Chamorro Mena 

M. Hanrath G. Chen









Retour accueil ESNT      Back to the ESNT page


Création-contact Web ESNT : Valérie Lapoux

#111 - Mise à jour : 23/03/2023
Retour en haut