Simone Bonfrate

According to our database, Simone Bonfrate authored at least 2 papers in 2025.

Collaborative distances:

• Dijkstra number of six.
• Erdős number of five.

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

J. Chem. Inf. Model., 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, Nicolas Ferré, Cheol Ho Choi, Miquel Huix-rotllant

J. Comput. Chem., 2025