Faites connaître cette offre !
Reference : UMR5626-ANTSCE-003
Workplace : TOULOUSE
Date of publication : Tuesday, September 01, 2020
Type of Contract : FTC Scientist
Contract Period : 24 months
Expected date of employment : 1 January 2021
Proportion of work : Full time
Remuneration : 2617 to 3767€ brut / month depending on experience
Desired level of education : PhD
Experience required : 1 to 4 years
The goal of this project is the development of new algorithms for QMC simulations of molecules and solids, better adapted to exascale architectures.
Multiple axes will be investigated:
- Using neural networks as correlation factors
- Different forms of trial wave functions (CI, CC, MPS, ...)
- Fault-tolerant algorithms
- Development and implementation of an asynchronous DMC algorithm
- PhD in physics or computational chemistry with a strong component in programming
- Expertise in stochastic methods
- A good practice of english, written and skpoken
- Environement : Linux
- Expertise in Fortran, C, Python
- Experience in OCaml appreciated
Research will be made at the laboratoire de Chimie et Physique Quantiques in Toulouse. However, the candidate will need to travel in the european laboratories partners of the project (Italy, Netherlands, Germany, Poland).
TREX is a European Center of Excellence (CoE) federating European scientists, HPC centers, and SMEs. It aims at developing, promoting, and maintaining open-source high-performance software solutions in the field of quantum chemistry, that are ready to take advantage of upcoming exascale architectures.
Quantum Monte Carlo (QMC) methods account for the fully correlated nature of the quantum electronic problem and offer an extremely accurate and systematically improvable solution of the Schrödinger equation. QMC calculations are extremely demanding from the point of view of computational resources and calculations are generally carried out thanks to the massively parallel character of the underlying algorithms.
We talk about it on Twitter!