NITheCS Quantum Seminar: ‘From Atoms to Surfaces: DFT Insights into Catalytic & Reactive Surfaces & Interfaces' – Dr David Tshwane (NITheCS Associate) - Fri 22 Aug @ 14h00 SAST. Attend online or in person. buff.ly/d9ePOx5
#MaterialDesign #ComputationalModelling #DensityFunctionalTheory #Mathematics

A Critical Look at Density Functional Theory in Chemistry: Untangling Its Strengths and Weaknesses Density functional theory (DFT) is a commonly used methodology favored by experts and non-experts alike. It is a useful tool for the investigation of atomic, molecular and surface systems, offering an...

Happy for being invited to contribute a mini-review about #DFT on Atoms!
Surely worth reading for both experimentalists and theoriticians alike!

#DensityFunctionalTheory #ComputationalChemistry