-
and fine-tuning of MLIPs, foundation models, enhanced sampling techniques such as metadynamics, and/or molecular dynamics. Applicants must fulfill the eligibility and admission criteria for Aalto’s
-
and software development. Proficiency in English (written and spoken). (Preferred) Experience with any of the following: Electronic structure software (e.g., Quantum ESPRESSO). Molecular dynamics
-
software (e.g., Quantum ESPRESSO). Molecular dynamics packages (e.g., LAMMPS). Machine learning interatomic potentials (e.g., GAP, MACE, NequIP ). Machine learning libraries and frameworks such as Scikit
Searches related to molecular dynamic
Enter an email to receive alerts for molecular-dynamic positions