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+ Interview) Experience in computational methodologies (DFT – QM/MM) (Application + Interview) A strong interest in cross-disciplinary research at the physical science/polymer chemistry interface (Interview
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No Desired Start Date 11/10/2025 Job Summary Candidate will work on DFT and atomistic simulation study and experimental development of battery cathode materials in close collaboration between BEACONS and
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Number: 30648 Posting Number: S06699P Job Description: Candidate will work on DFT and atomistic simulation study and experimental development of battery cathode materials in close collaboration between
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based on salt melts. The methods are primarily molecular dynamics simulations and small DFT calculations, but the software COSMO-RS may also be used. The postdoctoral fellow will be part of Prof. Patrik
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. Some experience with first-principle methods (FP/DFT) and/or other forms of electronic and magnetic structure theory and calculations is also expected. The successful candidate will have a strong
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the next generation of PV technologies for beyond 2030. The new postdoctoral research position will use materials modelling techniques (DFT, molecular dynamics, machine learning potentials) to investigate
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-to-olefins, syngas-to-olefins) involve the production of hydrocarbons from renewable raw materials. In addition to periodic density functional theory (DFT), ab initio methods and molecular dynamics (MD
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advanced characterization methods of inorganic materials and their assemblies, ideally with a focus on battery materials. Demonstrated proficiency in Density Functional Theory (DFT) and/or Molecular Dynamics
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, Raman spectroscopy and HPLC/GC-MS. Computational and Theoretical Analysis: Collaborate on DFT modeling of bond dissociation free energies (BDFE) and charge transfer energetics. Data Analysis and Reporting
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Description: Apply Position Description We invite talented and motivated applicants for PhD and Postdoc positions in the group of Haowei Xu (https://www.haoweixu.com/ ) at the Department of Physics, City