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Publications by Eric Cancès
Quantum, Classical, and Hybrid QM/MM Calculations in Solution: General Implementation of the ddCOSMO Linear Scaling Strategy
Journal of Chemical Physics
Medicine
Theoretical Chemistry
Astronomy
Physics
Physical
An Efficient Sampling Algorithm for Variational Monte Carlo
Journal of Chemical Physics
Medicine
Theoretical Chemistry
Astronomy
Physics
Physical
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Classical Polarization in Hybrid QM/MM Methods
Making Classical and Hybrid (QM/MM) Molecular Dynamics Easy and Fast With QwikMD
Biophysical Journal
Biophysics
A QM/MM and QM/QM/MM Study of Kerr, Cotton–Mouton and Jones Linear Birefringences in Liquid Acetonitrile
Physical Chemistry Chemical Physics
Theoretical Chemistry
Astronomy
Physics
Physical
On the Difference Between Additive and Subtractive QM/MM Calculations
Frontiers in Chemistry
Chemistry
Protonation and Reduction of the FeMo Cluster in Nitrogenase Studied by Quantum Mechanics/Molecular Mechanics (QM/MM) Calculations
General Linear Scaling Implementation of Polarizable Embedding Schemes
Investigation of Optoelectronic Properties of N3 Dye-Sensitized TiO2 Nano-Crystals by Hybrid Methods: ONIOM (QM/MM) Calculations
International Nano Letters
Medicine
Bioengineering
Biomedical Engineering
Pharmaceutical Science
Proton Transport in E. Coli CLC Transport Protein by Adaptive QM/MM Calculations
Biophysical Journal
Biophysics
1D1015 Hybrid QM/MM-CI Study of the Absorption Maximum of Halorhodopsin
Seibutsu Butsuri
