Field-Theory Approach to Molecular Interactions

Project Information

FITMOL

Grant agreement ID: 101054629

DOI 10.3030/101054629

EC signature date 20 June 2022

Start date 1 December 2022

End date 30 November 2027

Funded under

• European Research Council (ERC)

Total cost € 2 500 000,00

EU contribution € 2 500 000,00

Coordinated by

UNIVERSITE DU LUXEMBOURG
Luxembourg

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Publications

Peer reviewed articles (6)

Second quantization of many-body dispersion interactions for chemical and biological systems

Author(s): Matteo Gori, Philip Kurian, Alexandre Tkatchenko
Published in: Nature Communications, Issue 14, 2023, ISSN 2041-1723
Publisher: Springer Science and Business Media LLC
DOI: 10.1038/s41467-023-43785-z

Modeling noncovalent interatomic interactions on a photonic quantum computer

Author(s): Matthieu Sarkis, Alessio Fallani, Alexandre Tkatchenko
Published in: Physical Review Research, Issue 5, 2023, ISSN 2643-1564
Publisher: American Physical Society (APS)
DOI: 10.1103/PhysRevResearch.5.043072

Four-Dimensional Scaling of Dipole Polarizability: From Single-Particle Models to Atoms and Molecules

Author(s): Szabolcs Góger, Mohammad Reza Karimpour, Alexandre Tkatchenko
Published in: Journal of Chemical Theory and Computation, Issue 20, 2024, ISSN 1549-9618
Publisher: American Chemical Society (ACS)
DOI: 10.1021/acs.jctc.4c00582

Detecting phase transitions in lattice gauge theories: Production and dissolution of topological defects in 4D compact electrodynamics

Author(s): Loris Di Cairano, Matteo Gori, Matthieu Sarkis, Alexandre Tkatchenko
Published in: Physical Review D, Issue 110, 2024, ISSN 2470-0010
Publisher: American Physical Society (APS)
DOI: 10.1103/PhysRevD.110.014503

Molecules in Environments: Toward Systematic Quantum Embedding of Electrons and Drude Oscillators

Author(s): Matej Ditte, Matteo Barborini, Leonardo Medrano Sandonas, Alexandre Tkatchenko
Published in: Physical Review Letters, Issue 131, 2025, ISSN 0031-9007
Publisher: American Physical Society (APS)
DOI: 10.1103/PhysRevLett.131.228001

van der Waals Radii of Free and Bonded Atoms from Hydrogen (Z = 1) to Oganesson (Z = 118)

Author(s): Jorge Charry, Alexandre Tkatchenko
Published in: Journal of Chemical Theory and Computation, Issue 20, 2024, ISSN 1549-9618
Publisher: American Chemical Society (ACS)
DOI: 10.1021/acs.jctc.4c00784