Sort by
Refine Your Search
-
Listed
-
Category
-
Country
-
Employer
-
Field
-
theoretical methods and algorithms are required. The research project aims at deriving priors for Bayesian methods from atomistic simulations and machine learning. It also offers the opportunity to work with
-
on multiscale study of hydrogen embrittlement in steels. The primary mission of the postdoc is to support experimental efforts as well as large scale simulations by means atomistic simulations. Designing and
-
Student or Postdoc (f/m/d) in the field of Theory and Methods for Non-equilibrium Theory and Atomistic Simulations of Complex Biomolecules Possible projects are variational free energy methods
-
Université; and B. Laïk, UPEC) Where to apply Website https://emploi.cnrs.fr/Candidat/Offre/UMR8247-DIMMER0-007/Candidater.aspx Requirements Research FieldChemistryEducation LevelPhD or equivalent Research
-
addressable spin qubits in molecules as a powerful platform for combining optical/microwave spin manipulation with the atomistic control afforded by chemistry [e.g., Science, 370, 1309 (2020); Phys. Rev. X 12
-
validate the predictions of the ML models by means of atomistic modeling, in particular density functional theory (DFT) calculations, obtaining simulated electronic and emission spectra for the CDs. Finally
-
molecular dynamics simulations across multiple resolutions, most likely from the atomistic to the coarse grained level, using a variety of force fields and computational methods. Run large-scale simulations
-
selectivity and permeability and ultrahigh water permeability combined with high salt rejection. The objective of this work is to construct atomistic models of MOFs/Polymers and Artificial Water-Channel
-
vibrations), and structural (migration of atoms) effects with an atomistic resolution. This can be achieved by self-consistently coupling molecular dynamics (MD), density-functional theory (DFT), and quantum
-
) with DFT atomistic simulations to investigate the electronic structure and defect states in wide bandgap semiconductor nanomaterials. The goal is to better understand and optimize function