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List of works by Jean-Luc Fattebert

A high-resolution computational model of the deforming human heart

scientific article published on 8 January 2015

A unified electrostatic and cavitation model for first-principles molecular dynamics in solution.

scientific article published in February 2006

A wrench in the works of human acetylcholinesterase: soman induced conformational changes revealed by molecular dynamics simulations

scientific article

Accurate and scalable O(N) algorithm for first-principles molecular-dynamics computations on large parallel computers

scientific article published on 28 January 2014

Density functional theory for efficient ab initio molecular dynamics simulations in solution

scientific article published in April 2002

Large-Scale First-Principles Molecular Dynamics Simulations with Electrostatic Embedding: Application to Acetylcholinesterase Catalysis.

scientific article published on 5 November 2015

Optical properties of silicon clusters in the presence of water: a first principles theoretical analysis

scientific article

Quantitative Assessment of Electrostatic Embedding in Density Functional Theory Calculations of Biomolecular Systems

scientific article published in September 2009

Stacking of oligo- and polythiophene cations in solution: surface tension and dielectric saturation

scientific article published on 01 May 2006

Towards real-time simulation of cardiac electrophysiology in a human heart at high resolution

scientific article published on 04 June 2013

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