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Published August 2, 2019 | Version v1
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A Topological Data Analysis Perspective on Non-Covalent Interactions in Relativistic Calculations - supplementary information

Authors/Creators

  • 1. Centre of New Technologies, University of Warsaw, S. Banacha 2c 02-097 Warsaw, Poland
  • 2. Université de Lille, CNRS, UMR 8523 - PhLAM - Physique des Lasers, Atomes et Molécules, F-59000 Lille, France
  • 3. Sorbonne Université, CNRS, Laboratoire d'Informatique de Paris 6, LIP6, F-75005 Paris, France

Description

This repository contains the supplementary data to the following publication:

"A Topological Data Analysis Perspective on Non-Covalent Interactions in Relativistic Calculations", by the same authors.

Notes

The financial support (additional to the one mentioned under "Grants" field below) from: * the Polish National Science Centre (NCN): grant number 2016/23/D/ST4/03217, * the Labex CaPPA: contract ANR-11-LABX-0005-01, * I-SITE ULNE project OVERSEE: contract ANR-16-IDEX-0004, * CPER CLIMIBIO (European Regional Development Fund, Hauts de France council, French Ministry of Higher Education and Research), * the French national supercomputing facilities: grant DARI A0050801859 is acknowledged.

Files

esi.pdf

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Additional details

Related works

Is supplement to
Journal article: 10.1002/qua.26133 (DOI)
Preprint: arXiv:1908.00911v2 (arXiv)

Funding

European Commission
VESTEC - Visual Exploration and Sampling Toolkit for Extreme Computing 800904