67 density-functional-theory Postdoctoral positions

Postdoctoral Research Associate - Condensed Matter Theory

on vibrational and thermal properties of a range of materials, including chiral insulators and magnets.  Research efforts may include application of density functional theory (e.g. QE, VASP) and Boltzmann

Post Doctoral Associate

field is required. Certifications/Licenses Required Knowledge, Skills, and Abilities Knowledge of mechanical behaviors of materials and some form of materials modeling (e.g., density functional theory

Postdoctoral Researcher in Atomistic Machine Learning

regression, generative models, and Bayesian optimization. You will also carry out electronic structure theory (e.g. density-functional or Green’s function theory) calculations to generate data for machine

Postdoctoral Research Associate I

predictions new density-functional theory calculations will need to be performed. Outstanding UA benefits include health, dental, vision, and life insurance; paid vacation, sick leave, and holidays; UA/ASU/NAU

Postdoctoral Research Associate - Soft Matter Theory and Simulations

at the CNMS, and across other divisions at ORNL, including the Chemical Sciences Division with complementary skillsets in density functional theory, and impedance measurements. Major Duties/Responsibilities

Postdoc: Reactive Scattering with Electronic Friction

selection criteria: background in density functional theory calculations, ideally for adsorption on metal surfaces, basic understanding of molecular dynamics (MD), whereby Langevin MD would be advantageous

Postdoctoral Associate-Condensed Matter Theory

states of matter, developments and applications of computational methods at the density-functional and dynamical mean-field-theory levels, metal-insulator and structural phase transitions, quantum critical

Post-Doc researcher for in-silico study of sustainable decoating methods of PVD thin films (F/M/X)

simulations. Knowledge in ab-initio calculations (like Density Functional Theory) is a plus. In addition, the candidate will have the following skills: Work in team Proficient in English French is a plus

Doctoral/Postdoctoral Position "Fabrication and intercalation of spin-bearing polymers"

compatible with current technological integration. One optimization strategy is the fabrication of ultra-long, aligned polymers at interfaces and their decoration with molecular magnets. Recent work has

Post-doctoral researcher (M/F) on lattice dynamics of point and extended defects in III-V semiconductor nanostructures from ab initio calculations

of codes based on Density Functional Theory, such as the suite of codes Quantum ESPRESSO, involving structural relaxation, in-depth electronic structure analysis and vibrational properties investigation