Sort by
Refine Your Search
-
Listed
-
Category
-
Employer
-
Field
-
to) SIESTA (www.siesta-project.org) and its TranSIESTA functionality. SIESTA is a multipurpose first-principles method and program, based on Density Functional Theory, which can be used to describe the atomic
-
, Physics, Computational Chemistry, Nanoscience, Chemical Engineering, or a related field. Strong background in modelling (electro)catalytic processes using periodic density functional theory (DFT) is
-
networks and transformers. Practical experience with density functional theory (setups, convergence, interpreting outputs). Strong Python and deep-learning stack (preferably PyTorch); good software practices
-
Contribute to the preparation of scientific and technical reports. Develop and apply methodologies based on Density Functional Theory (DFT) to complex systems. Support simulation tasks and results analysis
-
-including evolutionary algorithms, ant colony optimisation, and simulated annealing-to fine-tune an LLM/agent that generates high-quality prompts, inputs, and tool-use strategies for density functional theory
-
networks and transformers. Practical experience with density functional theory (setups, convergence, interpreting outputs). Strong Python and deep-learning stack (preferably PyTorch); good software practices
-
to) SIESTA (www.siesta-project.org) and its TranSIESTA functionality. SIESTA is a multi-purpose first-principles method and program, based on Density Functional Theory, which can be used to describe the atomic