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Publications by Louis Lagardère

Massively Parallel Implementation of Steered Molecular Dynamics in Tinker-Hp: Comparisons of Polarizable and Non-Polarizable Simulations of Realistic Systems

Journal of Chemical Theory and Computation
Theoretical ChemistryComputer Science ApplicationsPhysical
2019English

Quantum, Classical, and Hybrid QM/MM Calculations in Solution: General Implementation of the ddCOSMO Linear Scaling Strategy

Journal of Chemical Physics
MedicineTheoretical ChemistryAstronomyPhysicsPhysical
2014English

Related publications

Massively Parallel Implementation of Steered Molecular Dynamics in Tinker-Hp: Comparisons of Polarizable and Non-Polarizable Simulations of Realistic Systems

2019English

Polarizable Molecular Dynamics Simulations of C-Kit Oncogene Promoter G-Quadruplexes of Distinct Conformations

Biophysical Journal
Biophysics
2019English

A Polarizable Reactive Force Field for Water to Enable Molecular Dynamics Simulations of Proton Transport

Journal of Chemical Physics
MedicineTheoretical ChemistryAstronomyPhysicsPhysical
2013English

Molecular Dynamics of Polarizable Point Dipole Models for Molten NaI. Comparison With First Principles Simulations

EPJ Web of Conferences
AstronomyPhysics
2011English

Excited States in Large Molecular Systems Through Polarizable Embedding

Physical Chemistry Chemical Physics
Theoretical ChemistryAstronomyPhysicsPhysical
2016English

General Linear Scaling Implementation of Polarizable Embedding Schemes

English

Polarizable MD Simulations of Ionic Liquids: How Does Additional Charge Transfer Change the Dynamics?

Physical Chemistry Chemical Physics
Theoretical ChemistryAstronomyPhysicsPhysical
2020English

Massively Parallel Simulations of Chain Formation and Restructuring Dynamics in a Magnetorheological Fluid

2011English

Development of Polarizable Models for Molecular Mechanical Calculations. 3. Polarizable Water Models Conforming to Thole Polarization Screening Schemes

Journal of Physical Chemistry B
SurfacesTheoretical ChemistryMaterials ChemistryFilmsMedicineCoatingsPhysical
2012English

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