output
20162025
most citedA Mountaineering Strategy to Excited States: Highly-Accurate Energies and Benchmarks for Medium Size Molecules

241 citations

researchers with a paper here

Counting papers with at most 25 authors, so collaboration author lists do not stand in for the people here.

collaborating institutions
Showing 2019Show all

7 papers · 1 filter

physics.chem-ph2019★ 36 cited

A Density-Based Basis-Set Incompleteness Correction for GW Methods

Pierre-François Loos, Barthélémy Pradines, Anthony Scemama +2

Similar to other electron correlation methods, many-body perturbation theory methods based on Green functions, such as the so-called approximation, suffer from the usual slow…

physics.comp-ph2019★ 72 cited

adcc: A versatile toolkit for rapid development of algebraic-diagrammatic construction methods

Michael F. Herbst, Maximilian Scheurer, Thomas Fransson +2

ADC-connect (adcc) is a hybrid python/C++ module for performing excited state calculations based on the algebraic-diagrammatic construction scheme for the polarisation propagator (…

physics.med-ph2019

Reduced-order modeling of hemodynamics across macroscopic through mesoscopic circulation scales

Olivier Adjoua, Stéphanie Pitre-Champagnat, Didier Lucor

We propose a hemodynamic reduced-order model bridging macroscopic and meso-scopic blood flow circulation scales from arteries to capillaries. In silico tree like vascular geometrie…

cs.MS2019★ 17 cited

Raising the Performance of the Tinker-HP Molecular Modeling Package [Article v1.0]

Luc-Henri Jolly, Alejandro Duran, Louis Lagardère +3

This living paper reviews the present High Performance Computing (HPC) capabilities of the Tinker-HP molecular modeling package. We focus here on the reference, double precision, m…

physics.chem-ph2019★ 50 cited

A Density-Based Basis-Set Correction For Wave Function Theory

Pierre-François Loos, Bathélemy Pradines, Anthony Scemama +2

We report a universal density-based basis-set incompleteness correction that can be applied to any wave function method. The present correction, which appropriately vanishes in the…

cond-mat.dis-nn2019★ 21 cited

Learning a Local Symmetry with Neural-Networks

Aurélien Decelle, Victor Martin-Mayor, Beatriz Seoane

We explore the capacity of neural networks to detect a symmetry with complex local and non-local patterns : the gauge symmetry Z 2 . This symmetry is present in physical problems f…

physics.comp-ph2019★ 171 cited

Quantum Package 2.0: An Open-Source Determinant-Driven Suite of Programs

Yann Garniron, Thomas Applencourt, Kevin Gasperich +16

\textsc{Quantum Package} is an open-source programming environment for quantum chemistry specially designed for wave function methods. Its main goal is the development of determina…