Post-doctoral associate in theoretical chemistry - CEISAM (France)
Core
Develop a new selected CI algorithm, extend a database of chemically-accurate reference values for excited-state calculations, and benchmark electronic structure methods for organic and inorganic compounds.
Role type
Post-doctoral associate in theoretical chemistry
Builds
A large and diverse database of chemically-accurate reference values for excited-state calculations
Domain
Quantum chemistry / Computational chemistry
Deliverable
production ML models | research
Required skills
Selected CI algorithms, TD-DFT, wavefunction-based theories, core spectroscopies, dynamic studies, automated approach development, Git repository management
Preferred skills
Experience with Gaussian, Dalton, TurboMole, MRCC, Cfour, Psi4, ORCA, BSE/GW, unitary CC ansatzes, orbital-optimized DFT, spin-flip schemes
Technologies
Gaussian, Dalton, TurboMole, MRCC, Cfour, Psi4, ORCA, Git
Responsibilities
Define the best approach for target properties and systems, perform extensive electronic structure benchmarks, maintain and develop the Git repository for data extraction and version control
Seniority
Post-doctoral (1-4 years of research experience)
