Sort by
Refine Your Search
-
Listed
-
Category
-
Country
-
Program
-
Employer
- CNRS
- DAAD
- VIN UNIVERSITY
- Institut Català de Nanociència i Nanotecnologia
- NIST
- University of Southern Denmark
- Uppsala universitet
- Autonomous University of Madrid (Universidad Autónoma de Madrid)
- Brookhaven National Laboratory
- City University of Hong Kong
- Commissariat à l'Energie Atomique et aux Energies Alternatives - Groupe
- Consiglio Nazionale delle Ricerche
- Curtin University
- Czech Technical University in Prague
- Delft University of Technology (TU Delft)
- ETH Zürich
- Hanyang University
- Helmholtz-Zentrum Dresden-Rossendorf - HZDR - Helmholtz Association
- Heriot Watt University
- IMEC
- IMT Mines Albi
- Illinois Institute of Technology
- Iowa State University
- J. Heyrovský Institute of Physical Chemistry of the CAS, v. v. i.
- Leibniz
- MOHAMMED VI POLYTECHNIC UNIVERSITY
- Maynooth University
- NTNU - Norwegian University of Science and Technology
- NTNU Norwegian University of Science and Technology
- Nanyang Technological University
- Technical University of Denmark
- The Cyprus Institute
- The University of Manchester
- Univ. Lorraine CNRS
- University of A Coruña
- University of Aveiro
- University of California, Merced
- University of Groningen
- University of Jyväskylä
- University of North Carolina at Chapel Hill
- Villanova University
- Vrije Universiteit Brussel
- 32 more »
- « less
-
Field
-
and graduate levels (minimum grade of 16 out of 20). Good oral and written English communication skills are required. Experience in computational modeling (DFT and ab initio) with benchmarking
-
complex materials simulations. These agents will assist with setting up, executing, and optimizing electronic structure workflows, from standard ground-state Density Functional Theory (DFT) calculations
-
an autonomous framework for setting up, executing, and optimizing complex electronic structure workflows, ranging from ground-state Density Functional Theory (DFT) to many-body perturbation theory methods such as
-
Minimum Qualifications: Ph.D. in Materials Science, Physics, Chemistry, Mechanical Engineering, or related fields Preferred Qualifications: Strong expertise in atomic-scale simulations (e.g., MD, DFT, ML-FF
-
simulations and large-scale DFT calculations at finite temperature using the Special Displacement Method (SDM) and its anharmonic extension (ASDM). Model polymorphous structures beyond the standard monomorphous
-
automates building and modifying surface structures, submitting DFT calculations, post-processing electronic structure and vacancy energies, and extracting machine-learning descriptors for modeling oxygen
-
Healthcare Monitoring We welcome applications from those with expertise in or across these disciplines: Computational materials modeling: DFT, molecular dynamics, phase-field modeling, or multiscale
-
heat transport at the nanoscale. Couple BTE-based models with information from atomistic simulations DFT of advanced materials and thermal interfaces. Investigate phonon scattering, thermal conductivity
-
– Molecular-Scale Modelling This PhD position focuses on molecular-scale computational modelling of polymer-hybrid anion-exchange membranes. The project involves DFT, molecular dynamics, and Monte Carlo
-
staff position within a Research Infrastructure? No Offer Description Within the MSCA project: Chiral Nanocluster Materials (CHIRALNANOMAT) https://cordis.europa.eu/project/id/101227458 http