Section Head

Section Head

Natural Science and Engineering

Netherlands eScience Center

Nicolas Renaud

Enabling scientific breakthrough through high-quality research software developement in Material Science, Bioinformatics, Quantum Chemistry, Quantum Computing.

Software

Open-Source Contribution

DeepRank

Deep learning framework for data mining protein-protein interactions using CNN

Husky

Quantum Transport in Python using Extended Huckel Hamiltonian

iScore

Support vector machines with random walk graph kernel for ranking protein-protein docking models

pdb2sql

Fast and versatile biomolecular structure PDB file parser using SQL queries

QMCTorch

Quantum Monte Carlo Simulation using Neural Network Wave Function Ansatz

SWAN

Screening Workflow and Nanomaterial

Votca-XTP

GW-BSE for Excited States Quantum Chemistry

Research Interests

Deep Learning approach of Quantum Monte Carlo Simulations

Deep Learning approach of Quantum Monte Carlo Simulations

Quantum Aware Neural Network form QMC

HPC for GW-BSE Simulations

HPC for GW-BSE Simulations

Many-Body Physics for Excited State Chemistry

Machine Learning for Protein-Protein Interactions

Machine Learning for Protein-Protein Interactions

Recognizing natural vs artifical protein interface

Design of Single Molecule Machines

Design of Single Molecule Machines

Mechanical Engineering at the Atomic Scale

Molecular Junctions & Machine Learning

Molecular Junctions & Machine Learning

Improving conformational sampling using ML

Quantum Processing of Classical Information

Quantum Processing of Classical Information

Quantum Transport for Classical Computing

Contact