Miquel Huix-Rotllant

35PUBLICATIONS
126CO-AUTHORS
Computational methods in fluid flow, heat and mass transfer (incl. computational fluid dynamics)Nonlinear optics and spectroscopyMathematical aspects of general relativityStatistical mechanics, physical combinatorics and mathematical aspects of condensed matterTheoretical quantum chemistry
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Publications (35)

|Sep 25, 2026
Modular integration of MRSF-TDDFT, NAMD, and QM/MM for excited-state dynamics on the OpenQP platform.

|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

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Frequent Collaborators

18 joint publications

Nicolas Ferré

10 joint publications

Cheol Ho Choi

6 joint publications

Seunghoon Lee

6 joint publications

Michael Filatov Gulak