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:
Current research group:
WordPress Table
Latest publications:
2968936
Huix-Rotllant
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american-chemical-society
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date
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https://icr-amu.cnrs.fr/tctnew/wp-content/plugins/zotpress/
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(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 .
(1)
Alías-Rodríguez, M.; Huix-Rotllant, M. Control of Iron(II)-Tris(2,2’-Bipyridine) Light-Induced Excited-State Trapping via External Electromagnetic Fields.
ChemPhysChem 2024 ,
n/a (n/a), e202400471.
https://doi.org/10.1002/cphc.202400471 .
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