Huix-Rotllant’s homepage

I’m Miquel Huix-Rotllant, CNRS researcher. My expertise is in theoretical chemistry, especially focused on modeling photochemistry of photoactive proteins.

Email: miquel.huix-rotllant@cnrs.fr

Research

My current research focus on:

  • Development of QM/MM methodologies for excited states.
  • Energy dissipation in photoactive proteins.
  • Quantum dynamics of spin transitions in organic and organometallic complexes.

I’m currently working on the photochemistry of these two proteins:

Myoglobin:

Cryptochrome:

Current research group:

WordPress Table

Latest publications:

(1)
Barreiro-Lage, D.; Ledentu, V.; D’Ascenzi, J.; Huix-Rotllant, M.; Ferré, N. Investigating the Origin of Automatic Rhodopsin Modeling Outliers Using the Microbial Gloeobacter Rhodopsin as Testbed. J. Phys. Chem. B 2024, 128 (50), 12368–12378. https://doi.org/10.1021/acs.jpcb.4c05962.
(1)
Park, W.; Oh, J.; Kim, J.; Lee, S.; Kim, J. H.; Huix-Rotllant, M.; Kim, D.; Choi, C. H. Temperature Controlled Decay and Pendulum Dynamics of Green Fluorescent Protein (GFP) Chromophore. J. Phys. Chem. Lett. 2024, 11468–11475. https://doi.org/10.1021/acs.jpclett.4c02761.
(1)
Fall, A.; Tintori, G.; Rollet, M.; Zhao, Y.; Avenel, A.; Charles, L.; Bergé-Lefranc, D.; Clément, J. L.; Redon, S.; Gigmes, D.; Huix-Rotllant, M.; Vanelle, P.; Broggi, J. α-Trifluoromethylated Quinolines as Safe and Storable PET-Donor for Radical Polymerizations. Macromolecular Rapid Communications 2024, n/a (n/a), 2400710. https://doi.org/10.1002/marc.202400710.
(1)
Mironov, V.; Komarov, K.; Li, J.; Gerasimov, I.; Nakata, H.; Mazaherifar, M.; Ishimura, K.; Park, W.; Lashkaripour, A.; Oh, M.; Huix-Rotllant, M.; Lee, S.; Choi, C. H. OpenQP: A Quantum Chemical Platform Featuring MRSF-TDDFT with an Emphasis on Open-Source Ecosystem. J. Chem. Theory Comput. 2024. https://doi.org/10.1021/acs.jctc.4c01117.
(1)
Park, W.; Lashkaripour, A.; Komarov, K.; Lee, S.; Huix-Rotllant, M.; Choi, C. H. Toward Consistent Predictions of Core/Valence Ionization Potentials and Valence Excitation Energies by MRSF-TDDFT. J. Chem. Theory Comput. 2024. https://doi.org/10.1021/acs.jctc.4c00640.

For a full list of publications, see ORCID iD iconhttps://orcid.org/0000-0002-2131-7328

Funding:

2016-2021 – ANR-JCJC – On the quest of a biological compass: magnetic field effects on the cryptochrome protein (BIOMAGNET)

2020 – 2024 – ANR-PRCi – Multiple trajectories towards excited states (MULTICROSS)

2019 – 2021 – PHC STAR – Development of new DFT methods for excited states

2021 – 2022 – ERC Booster: Organic radicals for quantum computing

Alumni:

2017-2020 – Karno Schwinn – PhD student – BIOMAGNET

2018 – Padmabati Mondal – Postdoctoral researcher – BIOMAGNET– Current: IISER Tirupati