Author Archives: Jean-Baptiste Hoock

C. Cézard, P. Sonnet, B. Bouvier, ‘Ironing out pyoverdine’s chromophore structure: serendipity or design?’, Journal of Biological Inorganic Chemistry 24, 659, 2019.

N. Monnier, AL. Furlan, S. Buchoux, M. Deleu, M. Dauchez, S. Rippa, C. Sarazin, ‘Exploring the Dual Interaction of Natural Rhamnolipids with Plant and Fungal Biomimetic Plasma Membranes through Biophysical Studies‘, International Journal of Molecular Sciences, 2019

A. Rucci, A. C. Ngandjong, E. N. Primo, M. Maiza, A. Franco, Tracking variabilities in the simulation of Lithium Ion Battery electrode fabrication and its impact on electrochemical performance, Electrochimica Acta, Volume 312, 2019

H. Azizollahi, A. Aarabi, F. Wallois, Effects of uncertainty in head tissue conductivity and complexity on EEG forward modeling in neonates, Human Brain Mapping, 2016

B. Bouvier, Substituted oligosaccharides as protein mimics: deep learning free energy landscapes, Journal of Chemical Information and Modeling, 2023

Amber

Description Amber is a suite of biomolecular simulation programs. The term “Amber” refers to two things. First, it is a set of molecular mechanical force fields for the simulation of… Read more »

NCCL

Description The NVIDIA Collective Communication Library (NCCL) implements multi-GPU and multi-node communication primitives optimized for NVIDIA GPUs and Networking. NCCL provides routines such as all-gather, all-reduce, broadcast, reduce, reduce-scatter as… Read more »

NTL

Description NTL is a C++ library for doing number theory. NTL supports arbitrary length integer and arbitrary precision floating point arithmetic, finite fields, vectors, matrices, polynomials, lattice basis reduction and… Read more »

digest command

Description `The digest command is an internal MatriCS command accessible only from the login nodes and allows you to display information. This command is under development. New features will be… Read more »

CPLEX

Description CPLEX Optimizer provides flexible and high-performance mathematical programming solvers for linear programming, mixed-integer programming, constraint programming, and quadratic constraint programming problems. These solvers include a distributed parallel algorithm for… Read more »