Miquel Huix-Rotllant (M Huix-Rotllant)

ResearcherID ORCID

Publication Activity (10 Years)

Years Active: 2018-2024
Publications (10 Years): 44

Top Venues

Journal of chemical theory and computation

Nature

Nature communications

Physical chemistry chemical physics : PCCP

CNRS Délégation Provence et Corse

Université Joseph Fourier UFR de Chimie et de Biologie (PHD)

This page only lists publications with an associated author ORCID identifier.

Affiliation History

CNRS Délégation Provence et Corse Oct 01 2015

France

Tenured Researcher / Chargé de Recherche :: Institut de Chimie Radicalaire , Université d'Aix-Marseille

Alexander von Humboldt-Stiftung Mar 01 2014 - Oct 01 2015

Germany

Humbolt post-doctoral fellow :: Institut für Physikalische und Theoretische Chemie, Goethe Universität Frankfurt

CEA Saclay Oct 01 2013 - Feb 28 2014

France

CNRS Post-Doctoral Researcher :: Laboratoire Francis Perrin

Aix-Marseille Université Jan 01 2012 - Jul 01 2013

France

Post-Doctoral Researcher :: Institut de Chimie Radicalaire

Education History

Université Joseph Fourier UFR de Chimie et de Biologie Oct 01 2008 - Dec 23 2011

France

PHD :: Département de Chimie Moléculaire

Publications

Thomas R M Barends, Alexander Gorel, Swarnendu Bhattacharyya, Giorgio Schirò, Camila Bacellar, Claudio Cirelli, Jacques-Philippe Colletier, Lutz Foucar, Marie Luise Grünbein, Elisabeth Hartmann, Mario Hilpert, James M Holton, Philip J M Johnson, Marco Kloos, Gregor Knopp, Bogdan Marekha, Karol Nass, Gabriela Nass Kovacs, Dmitry Ozerov, Miriam Stricker, Martin Weik, R Bruce Doak, Robert L Shoeman, Christopher J Milne, Miquel Huix-Rotllant, Marco Cammarata, Ilme Schlichting
Influence of pump laser fluence on ultrafast myoglobin structural dynamics. Nature (2024)
Woojin Park, Alireza Lashkaripour, Konstantin Komarov, Seunghoon Lee, Miquel Huix-Rotllant, Cheol-Ho Choi
Toward Consistent Predictions of Core/Valence Ionization Potentials and Valence Excitation Energies by MRSF-TDDFT. Journal of chemical theory and computation (2024)
Thomas R M Barends, Alexander Gorel, Swarnendu Bhattacharyya, Giorgio Schirò, Camila Bacellar, Claudio Cirelli, Jacques-Philippe Colletier, Lutz Foucar, Marie Luise Grünbein, Elisabeth Hartmann, Mario Hilpert, James M Holton, Philip J M Johnson, Marco Kloos, Gregor Knopp, Bogdan Marekha, Karol Nass, Gabriela Nass Kovacs, Dmitry Ozerov, Miriam Stricker, Martin Weik, R Bruce Doak, Robert L Shoeman, Christopher J Milne, Miquel Huix-Rotllant, Marco Cammarata, Ilme Schlichting
Influence of pump laser fluence on ultrafast myoglobin structural dynamics. Nature (2024)
Marc Alías-Rodríguez, Miquel Huix-Rotllant
Control of Iron(II)-Tris(2,2'-Bipyridine) Light-Induced Excited-State Trapping via External Electromagnetic Fields. Chemphyschem : a European journal of chemical physics and physical chemistry 25 (17) (2024)
Thomas R M Barends, Alexander Gorel, Swarnendu Bhattacharyya, Giorgio Schirò, Camila Bacellar, Claudio Cirelli, Jacques-Philippe Colletier, Lutz Foucar, Marie Luise Grünbein, Elisabeth Hartmann, Mario Hilpert, James M Holton, Philip J M Johnson, Marco Kloos, Gregor Knopp, Bogdan Marekha, Karol Nass, Gabriela Nass Kovacs, Dmitry Ozerov, Miriam Stricker, Martin Weik, R Bruce Doak, Robert L Shoeman, Christopher J Milne, Miquel Huix-Rotllant, Marco Cammarata, Ilme Schlichting
Influence of pump laser fluence on ultrafast myoglobin structural dynamics. Nature 626 (8000) (2024)
Thomas R M Barends, Alexander Gorel, Swarnendu Bhattacharyya, Giorgio Schirò, Camila Bacellar, Claudio Cirelli, Jacques-Philippe Colletier, Lutz Foucar, Marie Luise Grünbein, Elisabeth Hartmann, Mario Hilpert, James M Holton, Philip J M Johnson, Marco Kloos, Gregor Knopp, Bogdan Marekha, Karol Nass, Gabriela Nass Kovacs, Dmitry Ozerov, Miriam Stricker, Martin Weik, R Bruce Doak, Robert L Shoeman, Christopher J Milne, Miquel Huix-Rotllant, Marco Cammarata, Ilme Schlichting
Influence of pump laser fluence on ultrafast myoglobin structural dynamics. Nature (2024)
Elisa Pieri, Oliver Weingart, Miquel Huix-Rotllant, Vincent Ledentu, Marco Garavelli, Nicolas Ferré
Modeling pH-Dependent Biomolecular Photochemistry. Journal of chemical theory and computation 20 (2) (2024)
Woojin Park, Alireza Lashkaripour, Konstantin Komarov, Seunghoon Lee, Miquel Huix-Rotllant, Cheol-Ho Choi
Toward Consistent Predictions of Core/Valence Ionization Potentials and Valence Excitation Energies by MRSF-TDDFT. Journal of chemical theory and computation 20 (13) (2024)
Thomas R M Barends, Alexander Gorel, Swarnendu Bhattacharyya, Giorgio Schirò, Camila Bacellar, Claudio Cirelli, Jacques-Philippe Colletier, Lutz Foucar, Marie Luise Grünbein, Elisabeth Hartmann, Mario Hilpert, James M Holton, Philip J M Johnson, Marco Kloos, Gregor Knopp, Bogdan Marekha, Karol Nass, Gabriela Nass Kovacs, Dmitry Ozerov, Miriam Stricker, Martin Weik, R Bruce Doak, Robert L Shoeman, Christopher J Milne, Miquel Huix-Rotllant, Marco Cammarata, Ilme Schlichting
Influence of pump laser fluence on ultrafast myoglobin structural dynamics. Nature 626 (8000) (2024)
Elisa Pieri, Oliver Weingart, Miquel Huix-Rotllant, Vincent Ledentu, Marco Garavelli, Nicolas Ferré
Modeling pH-Dependent Biomolecular Photochemistry. Journal of chemical theory and computation (2024)
Thomas R M Barends, Alexander Gorel, Swarnendu Bhattacharyya, Giorgio Schirò, Camila Bacellar, Claudio Cirelli, Jacques-Philippe Colletier, Lutz Foucar, Marie Luise Grünbein, Elisabeth Hartmann, Mario Hilpert, James M Holton, Philip J M Johnson, Marco Kloos, Gregor Knopp, Bogdan Marekha, Karol Nass, Gabriela Nass Kovacs, Dmitry Ozerov, Miriam Stricker, Martin Weik, R Bruce Doak, Robert L Shoeman, Christopher J Milne, Miquel Huix-Rotllant, Marco Cammarata, Ilme Schlichting
Influence of pump laser fluence on ultrafast myoglobin structural dynamics. Nature 626 (8000) (2024)
Thomas R M Barends, Alexander Gorel, Swarnendu Bhattacharyya, Giorgio Schirò, Camila Bacellar, Claudio Cirelli, Jacques-Philippe Colletier, Lutz Foucar, Marie Luise Grünbein, Elisabeth Hartmann, Mario Hilpert, James M Holton, Philip J M Johnson, Marco Kloos, Gregor Knopp, Bogdan Marekha, Karol Nass, Gabriela Nass Kovacs, Dmitry Ozerov, Miriam Stricker, Martin Weik, R Bruce Doak, Robert L Shoeman, Christopher J Milne, Miquel Huix-Rotllant, Marco Cammarata, Ilme Schlichting
Influence of pump laser fluence on ultrafast myoglobin structural dynamics. Nature 626 (8000) (2024)
Thomas R M Barends, Alexander Gorel, Swarnendu Bhattacharyya, Giorgio Schirò, Camila Bacellar, Claudio Cirelli, Jacques-Philippe Colletier, Lutz Foucar, Marie Luise Grünbein, Elisabeth Hartmann, Mario Hilpert, James M Holton, Philip J M Johnson, Marco Kloos, Gregor Knopp, Bogdan Marekha, Karol Nass, Gabriela Nass Kovacs, Dmitry Ozerov, Miriam Stricker, Martin Weik, R Bruce Doak, Robert L Shoeman, Christopher J Milne, Miquel Huix-Rotllant, Marco Cammarata, Ilme Schlichting
Influence of pump laser fluence on ultrafast myoglobin structural dynamics. Nature 626 (8000) (2024)
Thomas R M Barends, Alexander Gorel, Swarnendu Bhattacharyya, Giorgio Schirò, Camila Bacellar, Claudio Cirelli, Jacques-Philippe Colletier, Lutz Foucar, Marie Luise Grünbein, Elisabeth Hartmann, Mario Hilpert, James M Holton, Philip J M Johnson, Marco Kloos, Gregor Knopp, Bogdan Marekha, Karol Nass, Gabriela Nass Kovacs, Dmitry Ozerov, Miriam Stricker, Martin Weik, R Bruce Doak, Robert L Shoeman, Christopher J Milne, Miquel Huix-Rotllant, Marco Cammarata, Ilme Schlichting
Influence of pump laser fluence on ultrafast myoglobin structural dynamics. Nature 626 (8000) (2024)
Simone Bonfrate, Nicolas Ferré, Miquel Huix-Rotllant
Analytic Gradients for the Electrostatic Embedding QM/MM Model in Periodic Boundary Conditions Using Particle-Mesh Ewald Sums and Electrostatic Potential Fitted Charge Operators. Journal of chemical theory and computation (2024)
Marc Alías-Rodríguez, Miquel Huix-Rotllant
Control of Iron(II)-Tris(2,2'-Bipyridine) Light-Induced Excited-State Trapping via External Electromagnetic Fields. Chemphyschem : a European journal of chemical physics and physical chemistry 25 (17) (2024)
Marc Alías-Rodríguez, Miquel Huix-Rotllant
Control of Iron(II)-Tris(2,2'-Bipyridine) Light-Induced Excited-State Trapping via External Electromagnetic Fields. Chemphyschem : a European journal of chemical physics and physical chemistry (2024)
Simone Bonfrate, Nicolas Ferré, Miquel Huix-Rotllant
Analytic Gradients for the Electrostatic Embedding QM/MM Model in Periodic Boundary Conditions Using Particle-Mesh Ewald Sums and Electrostatic Potential Fitted Charge Operators. Journal of chemical theory and computation 20 (10) (2024)
Thomas R M Barends, Alexander Gorel, Swarnendu Bhattacharyya, Giorgio Schirò, Camila Bacellar, Claudio Cirelli, Jacques-Philippe Colletier, Lutz Foucar, Marie Luise Grünbein, Elisabeth Hartmann, Mario Hilpert, James M Holton, Philip J M Johnson, Marco Kloos, Gregor Knopp, Bogdan Marekha, Karol Nass, Gabriela Nass Kovacs, Dmitry Ozerov, Miriam Stricker, Martin Weik, R Bruce Doak, Robert L Shoeman, Christopher J Milne, Miquel Huix-Rotllant, Marco Cammarata, Ilme Schlichting
Influence of pump laser fluence on ultrafast myoglobin structural dynamics. Nature (2024)
Elisa Pieri, Oliver Weingart, Miquel Huix-Rotllant, Vincent Ledentu, Marco Garavelli, Nicolas Ferré
Modeling pH-Dependent Biomolecular Photochemistry. Journal of chemical theory and computation 20 (2) (2024)
Marc Alías-Rodríguez, Simone Bonfrate, Woojin Park, Nicolas Ferré, Cheol-Ho Choi, Miquel Huix-Rotllant
Solvent Effects and pH Dependence of the X-ray Absorption Spectra of Proline from Electrostatic Embedding Quantum Mechanics/Molecular Mechanics and Mixed-Reference Spin-Flip Time-dependent Density-Functional Theory. The journal of physical chemistry. A (2023)
Leonardo Barneschi, Danil Kaliakin, Miquel Huix-Rotllant, Nicolas Ferré, Michael Filatov Gulak, Massimo Olivucci
Assessment of the Electron Correlation Treatment on the Quantum-Classical Dynamics of Retinal Protonated Schiff Base Models: XMS-CASPT2, RMS-CASPT2, and REKS Methods. Journal of chemical theory and computation (2023)
Simone Bonfrate, Nicolas Ferré, Miquel Huix-Rotllant
An efficient electrostatic embedding QM/MM method using periodic boundary conditions based on particle-mesh Ewald sums and electrostatic potential fitted charge operators. The Journal of chemical physics 158 (2) (2023)
Giovanni Li Manni, Ignacio Fdez Galván, Ali Alavi, Flavia Aleotti, Francesco Aquilante, Jochen Autschbach, Davide Avagliano, Alberto Baiardi, Jie J Bao, Stefano Battaglia, Letitia Birnoschi, Alejandro Blanco-González, Sergey I Bokarev, Ria Broer, Roberto Cacciari, Paul B Calio, Rebecca K Carlson, Rafael C Couto, Luis Cerdán, Liviu F Chibotaru, Nicholas F Chilton, Jonathan Richard Church, Irene Conti, Sonia Coriani, Juliana Cuéllar-Zuquin, Razan E Daoud, Nike Dattani, Piero Decleva, Coen de Graaf, Mickaël G Delcey, Luca De Vico, Werner Dobrautz, Sijia S Dong, Rulin Feng, Nicolas Ferré, Michael Filatov Gulak, Soumen Ghosh, Marco Garavelli, Leticia González, Yafu Guan, Meiyuan Guo, Matthew R Hennefarth, Matthew R Hermes, Chad E Hoyer, Miquel Huix-Rotllant, Vishal Kumar Jaiswal, Andy Kaiser, Danil S Kaliakin, Marjan Khamesian, Daniel S King, Vladislav Kochetov, Marek Krośnicki, Arpit Arun Kumaar, Ernst Dennis Larsson, Susi Lehtola, Marie-Bernadette Lepetit, Hans Lischka, Pablo López Ríos, Marcus Lundberg, Dongxia Ma, Sebastian Mai, Philipp Marquetand, Isabella C D Merritt, Francesco Montorsi, Maximilian Mörchen, Artur Nenov, Vu Ha Anh Nguyen, Yoshio Nishimoto, Meagan S Oakley, Massimo Olivucci, Markus Oppel, Daniele Padula, Riddhish Pandharkar, Quan Manh Phung, Felix Plasser, Gerardo Raggi, Elisa Rebolini, Markus Reiher, Ivan Rivalta, Daniel Roca-Sanjuán, Thies Romig, Arta Anushirwan Safari, Aitor Sánchez-Mansilla, Andrew M Sand, Igor Schapiro, Thais R Scott, Javier Segarra-Marti, Francesco Segatta, Dumitru-Claudiu Sergentu, Prachi Sharma, Ron Shepard, Yinan Shu, Jakob K Staab, Tjerk P Straatsma, Lasse Kragh Sørensen, Bruno Nunes Cabral Tenorio, Donald G Truhlar, Liviu Ungur, Morgane Vacher, Valera Veryazov, Torben Arne Voß, Oskar Weser, Dihua Wu, Xuchun Yang, David R Yarkony, Chen Zhou, J Patrick Zobel, Roland Lindh
The OpenMolcas Web : A Community-Driven Approach to Advancing Computational Chemistry. Journal of chemical theory and computation (2023)
Simone Bonfrate, Nicolas Ferré, Miquel Huix-Rotllant
An efficient electrostatic embedding QM/MM method using periodic boundary conditions based on particle-mesh Ewald sums and electrostatic potential fitted charge operators. The Journal of chemical physics 158 (2) (2023)
Konstantin Komarov, Woojin Park, Seunghoon Lee, Miquel Huix-Rotllant, Cheol-Ho Choi
Doubly Tuned Exchange-Correlation Functionals for Mixed-Reference Spin-Flip Time-Dependent Density Functional Theory. Journal of chemical theory and computation (2023)
Gustavo Cárdenas, Vincent Ledentu, Miquel Huix-Rotllant, Massimo Olivucci, Nicolas Ferré
Automatic Rhodopsin Modeling with Multiple Protonation Microstates. The journal of physical chemistry. A (2023)
Marc Alías-Rodríguez, Swarnendu Bhattacharyya, Miquel Huix-Rotllant
Ultrafast Spin Crossover Photochemical Mechanism in [Fe II (2,2'-bipyridine) 3 ] 2+ ] Revealed by Quantum Dynamics. The journal of physical chemistry letters (2023)
Woojin Park, Marc Alías-Rodríguez, Daeheum Cho, Seunghoon Lee, Miquel Huix-Rotllant, Cheol-Ho Choi
Mixed-Reference Spin-Flip Time-Dependent Density Functional Theory for Accurate X-ray Absorption Spectroscopy. Journal of chemical theory and computation 18 (10) (2022)
Michael Filatov Gulak, Marco Paolino, Robin Pierron, Andrea Cappelli, Gianluca Giorgi, Jérémie Leonard, Miquel Huix-Rotllant, Nicolas Ferré, Xuchun Yang, Danil S Kaliakin, Alejandro Blanco-González, Massimo Olivucci
Author Correction: Towards the engineering of a photon-only two-stroke rotary molecular motor. Nature communications 13 (1) (2022)
Miquel Huix-Rotllant, Karno Schwinn, Vladimir A Pomogaev, Maryam Farmani, Nicolas Ferré, Seunghoon Lee, Cheol-Ho Choi
Photochemistry of Thymine in Solution and DNA Revealed by an Electrostatic Embedding QM/MM Combined with Mixed-Reference Spin-Flip TDDFT. Journal of chemical theory and computation 19 (1) (2022)
Leonardo Barneschi, Emanuele Marsili, Laura Pedraza-González, Daniele Padula, Luca De Vico, Danil S Kaliakin, Alejandro Blanco-González, Nicolas Ferré, Miquel Huix-Rotllant, Michael Filatov Gulak, Massimo Olivucci
On the fluorescence enhancement of arch neuronal optogenetic reporters. Nature communications 13 (1) (2022)
Miquel Huix-Rotllant, Karno Schwinn, Vladimir A Pomogaev, Maryam Farmani, Nicolas Ferré, Seunghoon Lee, Cheol-Ho Choi
Photochemistry of Thymine in Solution and DNA Revealed by an Electrostatic Embedding QM/MM Combined with Mixed-Reference Spin-Flip TDDFT. Journal of chemical theory and computation (2022)
Miquel Huix-Rotllant, Karno Schwinn, Vladimir A Pomogaev, Maryam Farmani, Nicolas Ferré, Seunghoon Lee, Cheol-Ho Choi
Photochemistry of Thymine in Solution and DNA Revealed by an Electrostatic Embedding QM/MM Combined with Mixed-Reference Spin-Flip TDDFT. Journal of chemical theory and computation 19 (1) (2022)
Michael Filatov Gulak, Marco Paolino, Robin Pierron, Andrea Cappelli, Gianluca Giorgi, Jérémie Leonard, Miquel Huix-Rotllant, Nicolas Ferré, Xuchun Yang, Danil S Kaliakin, Alejandro Blanco-González, Massimo Olivucci
Towards the engineering of a photon-only two-stroke rotary molecular motor. Nature communications 13 (1) (2022)
Roger-Charles Tissier, Baptiste Rigaud, Pierre Thureau, Miquel Huix-Rotllant, Maguy Jaber, Nicolas Ferré
Stressing the differences in alizarin and purpurin dyes through UV-visible light absorption and 1 H-NMR spectroscopies. Physical chemistry chemical physics : PCCP 24 (32) (2022)
Marc Alías-Rodríguez, Coen de Graaf, Miquel Huix-Rotllant
Ultrafast Intersystem Crossing in Xanthone from Wavepacket Dynamics. Journal of the American Chemical Society 143 (51) (2021)
Miquel Huix-Rotllant, Karno Schwinn, Nicolas Ferré
Infrared spectroscopy from electrostatic embedding QM/MM: local normal mode analysis of infrared spectra of arabidopsis thaliana plant cryptochrome. Physical chemistry chemical physics : PCCP 23 (2) (2021)
Miquel Huix-Rotllant
Photochemistry of Thymine in Protic Polar Nanomeric Droplets Using Electrostatic Embeding TD-DFT/MM. Molecules (Basel, Switzerland) 26 (19) (2021)
Woojin Park, Seunghoon Lee, Miquel Huix-Rotllant, Michael Filatov Gulak, Cheol-Ho Choi
Impact of the Dynamic Electron Correlation on the Unusually Long Excited-State Lifetime of Thymine. The journal of physical chemistry letters 12 (18) (2021)
Karno Schwinn, Nicolas Ferré, Miquel Huix-Rotllant
UV-visible absorption spectrum of FAD and its reduced forms embedded in a cryptochrome protein. Physical chemistry chemical physics : PCCP 22 (22) (2020)
Karno Schwinn, Nicolas Ferré, Miquel Huix-Rotllant
Efficient Analytic Second Derivative of Electrostatic Embedding QM/MM Energy: Normal Mode Analysis of Plant Cryptochrome. Journal of chemical theory and computation 16 (6) (2020)
Miquel Huix-Rotllant, Nicolas Ferré
Analytic Energy, Gradient, and Hessian of Electrostatic Embedding QM/MM Based on Electrostatic Potential-Fitted Atomic Charges Scaling Linearly with the MM Subsystem Size. Journal of chemical theory and computation 17 (1) (2020)
Konstantin Falahati, Hiroyuki Tamura, Irene Burghardt, Miquel Huix-Rotllant
Ultrafast carbon monoxide photolysis and heme spin-crossover in myoglobin via nonadiabatic quantum dynamics. Nature communications 9 (1) (2018)

Miquel Huix-Rotllant.css-eqlu8i{font-size:small;padding-left:4px;} (M Huix-Rotllant)

Publication Activity (10 Years)

Top Topics

Top Venues

Miquel Huix-Rotllant (M Huix-Rotllant)