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Chemistry

D-Index
43
Citations
10677
World Ranking
17054
National Ranking
753

Overview

Nicolas Ferré is affiliated with Aix-Marseille University in France and focuses on research within the broad field of Physics and Astronomy. Their work spans several scientific subfields, primarily Atomic and Molecular Physics, and Optics, as well as contributions to Molecular Biology, Cellular and Molecular Neuroscience, Materials Chemistry, and Spectroscopy.

The scientist's research topics cover a diverse range including:

  • Spectroscopy and Quantum Chemical Studies
  • Photoreceptor and optogenetics research
  • Advanced Chemical Physics Studies
  • Molecular spectroscopy and chirality
  • Neural dynamics and brain function
  • Photochemistry and Electron Transfer Studies
  • Machine Learning in Materials Science

Recent publications by Nicolas Ferré illustrate the focus areas and their involvement in collaborative works. Notable papers include:

  • "Modern quantum chemistry with [Open]Molcas" (2020), published in The Journal of Chemical Physics
  • "The OpenMolcas Web: A Community-Driven Approach to Advancing Computational Chemistry" (2023), published in Journal of Chemical Theory and Computation
  • "Choosing the right molecular machine learning potential" (2021), published in Chemical Science
  • "UV-visible absorption spectrum of FAD and its reduced forms embedded in a cryptochrome protein" (2020), published in Physical Chemistry Chemical Physics
  • "Frontiers in Multiscale Modeling of Photoreceptor Proteins" (2020), published in Photochemistry and Photobiology

Frequent publication venues for Nicolas Ferré include:

  • Journal of Chemical Theory and Computation
  • Physical Chemistry Chemical Physics
  • The Journal of Chemical Physics
  • Nature Communications
  • The Journal of Physical Chemistry A

Collaboration is an integral part of their research, with several frequent co-authors contributing to multiple works. The most common collaborators are:

  • Miquel Huix-Rotllant
  • Massimo Olivucci
  • Alejandro Blanco-González
  • Michael Filatov
  • Danil Kaliakin

Nicolas Ferré's research engages advanced chemical physics and computational approaches to molecular systems, including machine learning potentials and photoreceptor protein studies. Their work covers experimental and theoretical spectroscopy, contributing to understanding molecular interactions and dynamics relevant to biological and material sciences.

Best Publications

  • Software news and update MOLCAS 7 : The Next Generation

    Francesco Aquilante;Luca De Vico;Nicolas Ferré;Giovanni Ghigo

  • Molcas 8: New capabilities for multiconfigurational quantum chemical calculations across the periodic table.

    Francesco Aquilante;Jochen Autschbach;Rebecca K. Carlson;Liviu F. Chibotaru

  • Modern quantum chemistry with [Open]Molcas

    Francesco Aquilante;Jochen Autschbach;Alberto Baiardi;Stefano Battaglia

  • Chemi- and Bioluminescence of Cyclic Peroxides.

    Morgane Vacher;Ignacio Fernández Galván;Bo-Wen Ding;Stefan Schramm

  • Tracking the excited-state time evolution of the visual pigment with multiconfigurational quantum chemistry.

    Luis Manuel Frutos;Tadeusz Andruniów;Fabrizio Santoro;Nicolas Ferré

  • Structure, initial excited-state relaxation, and energy storage of rhodopsin resolved at the multiconfigurational perturbation theory level.

    Tadeusz Andruniów;Nicolas Ferré;Massimo Olivucci

  • Shape of Multireference, Equation-of-Motion Coupled-Cluster, and Density Functional Theory Potential Energy Surfaces at a Conical Intersection.

    Samer Gozem;Federico Melaccio;Alessio Valentini;Alessio Valentini;Michael Filatov

  • Probing the Rhodopsin Cavity with Reduced Retinal Models at the CASPT2//CASSCF/AMBER Level of Theory

    Nicolas Ferré;Massimo Olivucci

  • The Ultrafast Photoisomerizations of Rhodopsin and Bathorhodopsin Are Modulated by Bond Length Alternation and HOOP Driven Electronic Effects

    Igor Schapiro;Mikhail Nikolaevich Ryazantsev;Luis Manuel Frutos;Nicolas Ferré

  • Assignment of the EPR spectrum of 5,5-dimethyl-1-pyrroline N-oxide (DMPO) superoxide spin adduct.

    ‡ Jean-Louis Clément;Nicolas Ferré;Didier Siri;Hakim Karoui

  • Choosing the right molecular machine learning potential

    Max Pinheiro;Fuchun Ge;Nicolas Ferré;Pavlo O. Dral

  • Properties of the emitting state of the green fluorescent protein resolved at the CASPT2//CASSCF/CHARMM level.

    Adalgisa Sinicropi;Tadeusz Andruniow;Nicolas Ferré;Riccardo Basosi

  • Specific force field parameters determination for the hybrid ab initio QM/MM LSCF method.

    Nicolas Ferré;Xavier Assfeld;Jean-Louis Rivail

  • Density-functional methods for excited states

    Nicolas Ferre;Michael Filatov;Miquel Huix-Rotllant

  • The color of rhodopsins at the ab initio multiconfigurational perturbation theory resolution.

    Pedro B. Coto;Angela Strambi;Nicolas Ferré;Massimo Olivucci

  • The chemistry of bioluminescence: an analysis of chemical functionalities.

    Isabelle Navizet;Ya-Jun Liu;Nicolas Ferré;Daniel Roca-Sanjuán

  • Color-tuning mechanism of firefly investigated by multi-configurational perturbation method.

    Isabelle Navizet;Ya-Jun Liu;Nicolas Ferré;Hong-Yan Xiao

  • Approximate electrostatic interaction operator for QM/MM calculations

    Nicolas Ferré;János G. Ángyán

  • The Molecular Mechanism of Thermal Noise in Rod Photoreceptors

    Samer Gozem;Igor Schapiro;Nicolas Ferré;Massimo Olivucci;Massimo Olivucci

  • An artificial molecular switch that mimics the visual pigment and completes its photocycle in picoseconds

    Adalgisa Sinicropi;Elena Martin;Mikhail Ryazantsev;Jan Helbing

  • Assessment of Density Functional Theory for Describing the Correlation Effects on the Ground and Excited State Potential Energy Surfaces of a Retinal Chromophore Model.

    Miquel Huix-Rotllant;Michael Filatov;Samer Gozem;Igor Schapiro;Igor Schapiro

Frequent Co-Authors

Massimo Olivucci
Massimo Olivucci University of Siena
Roland Lindh
Roland Lindh Uppsala University
Hideki Kandori
Hideki Kandori Nagoya Institute of Technology
Marco Garavelli
Marco Garavelli University of Bologna
Paul Tordo
Paul Tordo Aix-Marseille University
Mario Barbatti
Mario Barbatti Aix-Marseille University
Wei-Hai Fang
Wei-Hai Fang Beijing Normal University
Jean-Paul Malrieu
Jean-Paul Malrieu Paul Sabatier University
Markus Reiher
Markus Reiher ETH Zurich
Liviu Ungur
Liviu Ungur National University of Singapore

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