Miquel Huix-Rotllant

33PUBLICATIONS
126CO-AUTHORS
Mathematical aspects of general relativityStatistical mechanics, physical combinatorics and mathematical aspects of condensed matterTheoretical quantum chemistryChemical thermodynamics and energeticsMicrobial genetics
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Publications (33)

|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

|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

|Nov 08, 2024
Temperature Controlled Decay and Pendulum Dynamics of Green Fluorescent Protein (GFP) Chromophore.

Woojin Park, Juwon Oh, Jinseok Kim

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