Sort by
Refine Your Search
-
Category
-
Employer
-
Field
-
methods to simulate between functional chemically active surfaces and molecules/liquids. Central methodologies include: static DFT calculations; TBMD and AIMD; classical atomistic and coarse-grained
-
experimental approaches, with theoretical activities focusing on: Quantum mechanical calculations using density functional theory. Mean-field modeling and Monte Carlo simulations for reaction kinetics
Enter an email to receive alerts for atomistic-simulation "https:" positions