An Introduction to Atomistic Simulations of Materials
Dr. Pui-Wai (Leo) Ma, Culham Centre for Fusion Energy
Lecture Room 3, Department of Engineering Science, University of Oxford
23rd of February 2022 (Thursday)
9:30 - 10:45 Quantum mechanics and density functional theory
11:15 - 12:15 Molecular dynamics
24th of February 2022 (Friday)
9:30 - 10:45 Atomistic spin dynamics / spin-lattice dynamics
11:15 - 12:15 Hands-on session
Dr. Pui-Wai (Leo) Ma is a senior scientist of the Culham Centre for Fusion Energy. He has extensive expertise in molecular dynamics, spin-lattice dynamics and density functional theory calculations. He is an expert of point defects in bcc and fcc materials, microstructure evolution of fusion power materials under irradiation, magnetic excitations in metals, and porting information from atomistic and electronic scale simulations to continuum models. He is the main author of the spin-lattice dynamics simulation code SPILADY and of the CALANIE toolbox which corrects defect formation free energy for elastic interactions. He also has extensive expertise in GPU computing and parallel programming.