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applicants with a background or experience in: • Computational chemistry • Materials simulation • Scientific machine learning / AI • Molecular dynamics or DFT • Materials science or a related discipline
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behaviour and electrically tunable interfaces in 2D heterostructures. Methods include density functional theory (DFT), atomistic simulation, high-performance computing, and machine-learning-assisted materials
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University of Girona (UdG) - Institute of Computational Chemistry and Catalysis (IQCC) | Spain | 2 months ago
, preferably in Python. Additional skills and experience considered positively:Experience in quantum mechanical calculations (e.g. DFT) Experience in molecular dynamics simulations Familiarity with Linux/Unix
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that can be benchmarked through physical experiments or computational simulations. The project is funded by the Research Council of Norway and is a collaboration between NTNU and Norsk Regnesentral
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simulations. The project is funded by the Research Council of Norway and is a collaboration between NTNU and Norsk Regnesentral (The Norwegian Computing Centre). The PhD candidate will be a part of the research
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for molecular magnetic materials lags behind these experimental breakthroughs. DFT fails to capture strong correlation, while wave function-based methods are computationally prohibitive for strongly-correlated
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Materials Science (CMAT) is looking for: Doctoral researcher (PhD student) in area-selective atomic layer deposition (AS-ALD) simulations Are you interested in discovering and understanding chemical
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highly challenging task. The project uses Machine Learning (ML), in combination with DFT and state-of-the-art Boltzmann transport methods, to predict, accelerate, and scale the computation of electronic
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23 Jun 2026 Job Information Organisation/Company DIFFER Research Field Computer science » Modelling tools Computer science » Programming Engineering » Chemical engineering Engineering » Simulation
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simulation techniques, including density functional theory (DFT), molecular dynamics, Monte Carlo methods, and free‑energy perturbation calculations. Develop and implement novel computational methodologies and