4 density-functional-theory-dft Postdoctoral positions in United States

Postdoctoral Research Associate - Ames National Laboratory

Iowa State University | Ames, Iowa | United States | about 5 hours ago

using molecular mechanics and hybrid QM/MM methods. Applying density functional theory, correlated wavefunction methods (e.g., MP2, CCSD(T)), and multiconfigurational approaches (e.g., CASSCF, CASPT2

Postdoctoral Scholar

University of Central Florida | Orlando, Florida | United States | about 1 month ago

have expertise and experience in executing density functional theory (DFT) calculations, microkinetic modeling, kinetic Monte Carlo simulations, and Machine learning methods. Minimum Qualifications: Must

Postdoctoral Appointee - Computational Research in Selective Interface Reactions

Argonne | Lemont, Illinois | United States | about 9 hours ago

deposition (ALD). The project involves performing quantum mechanical calculations (e.g., first principles density functional theory (DFT)) to identify the structures and to understand the complex mechanisms

Postdoctoral Research Associate - Chemistry

University of North Texas at Dallas | Dallas, Texas | United States | about 1 month ago

-learning trained using the van der Waals corrected hybrid density functional theory (DFT) enabled SeA approach [J. Chem. Theory Comput. 19, 4182 (2023)]. The SeA approach is an accurate and efficient high