Miquel Huix-Rotllant

34PUBLICATIONS
126CO-AUTHORS
Nonlinear optics and spectroscopyMathematical aspects of general relativityStatistical mechanics, physical combinatorics and mathematical aspects of condensed matterTheoretical quantum chemistryChemical thermodynamics and energetics
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Publications (34)

|Sep 08, 2026
Nonadiabatic Dynamics of Uracil in Aqueous Solution from QM/MM in Periodic Boundary Conditions Combined with Mixed-Reference Spin-Flip TDDFT.

|Sep 12, 2025
Analytic Gradients and Periodic Boundary Conditions for Direct Reaction Field Polarizable QM/MM with Electrostatic Potential Fitting.

Thomas P Fay, Miquel Huix-Rotllant, Nicolas Ferré

|Aug 26, 2025
Efficient Free Energies from a Simplified Electrostatic Embedding QM/MM Approach Based on Electrostatic Potential Fitted Operators.

Simone Bonfrate, Nicolas Ferré, Miquel Huix-Rotllant

|Apr 22, 2025
Assessment of Free Energies From Electrostatic Embedding Density Functional Tight Binding-Based/Molecular Mechanics in Periodic Boundary Conditions.

Simone Bonfrate, Woojin Park, Dulce Trejo-Zamora

|Dec 20, 2024
Efficient Polarizable QM/MM Using the Direct Reaction Field Hamiltonian with Electrostatic Potential Fitted Multipole Operators.

Thomas P Fay, Nicolas Ferré, Miquel Huix-Rotllant

|Dec 10, 2024
Investigating the Origin of Automatic Rhodopsin Modeling Outliers Using the Microbial Gloeobacter Rhodopsin as Testbed.

Darío Barreiro-Lage, Vincent Ledentu, Jacopo D'Ascenzi

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Frequent Collaborators

18 joint publications

Nicolas Ferré

9 joint publications

Cheol Ho Choi

6 joint publications

Seunghoon Lee

6 joint publications

Michael Filatov Gulak