-
Duties and Responsibilities: You will perform molecular dynamics simulations using MILPs. You will perform density functional theory (DFT) calculations for solid state materials. You will build and train
-
or heterogeneous catalysis of small molecule activation. Density functional theory applications to transition-metal containing molecular complexes. Hybrid quantum mechanics/molecular mechanics (QM/MM) methods
Searches related to density functional theory
Enter an email to receive alerts for density-functional-theory positions