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Field
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-Performance Computing Advanced Know-How in the fields of HPC Scientific Domain Expertise: While the position is open to various backgrounds, proven expertise in molecular simulation and density functional
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of statistical experimental design and optimization methodologies. Computational Chemistry: Experience with molecular modelling methods such as Density Functional Theory (DFT), Molecular Mechanics (MM
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Helmholtz-Zentrum Dresden-Rossendorf - HZDR - Helmholtz Association | Gorlitz, Sachsen | Germany | about 1 month ago
tasks # Performing quantum mechanical and ML-based simulations to determine CO2 adsorption energies # Application of self-consistent continuum solvation models to account for solvation effects
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combines state-of-the-art computational multiscale modelling (using DFT/TDDFT methods, collision theory, molecular dynamics, stochastic dynamics, Monte Carlo and analytical methods) and its thorough
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combines state-of-the-art computational multiscale modelling (using DFT/TDDFT methods, collision theory, molecular dynamics, stochastic dynamics, Monte Carlo and analytical methods) and its thorough
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the Job related to staff position within a Research Infrastructure? No Offer Description Postdoc in Machine Learned Semiconductor Material Properties for Quantum Transport Simulations The simulation
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Max Planck Institute for Extraterrestrial Physics, Garching | Garching an der Alz, Bayern | Germany | 3 months ago
dynamics simulations and enhanced sampling methods for the study of rare events, such as surface reactions and surface dynamics for astrophysically relevant conditions; simulating pure and mixed ices
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Modeling. Machine Learning Interatomic Potential (MLIP) accelerated simulations. Demonstrated ability of coding in Fortran, Shell, or Python with development experiences. Deep knowledge in excited states and
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experience with DFT codes will be very highly valued. • Knowledge of chemical reactions and how to model them through computer simulations is highly valued. • Knowledge of classical molecular dynamics
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), Kinetic Modeling. Machine Learning Interatomic Potential (MLIP) accelerated simulations. Demonstrated ability of coding in Fortran, Shell, or Python with development experiences. Deep knowledge in excited