EXTREME-SCALE QUANTUM SIMULATIONS

• 1: Born-Oppenheimer molecular dynamics (BOMD) (due Wednesday, Feb. 21); do-it-yourself (DIY) BOMD instruction by Subodh; answer & movie
• 2: Projector augmented wave (PAW) psudopotential (due Wednesday, Mar. 7); DIY-PAW instruction by Hiroyuki; answer
• 3: Nonadiabatic quantum molecular dynamics (NAQMD) (due Monday, Mar. 19); DIY-NAQMD instruction by Lindsay; answer
• 4: Linear-response time-dependent density functional theory (LR-TDDFT) (due Monday, Apr. 9); DIY-LRTDDFT instruction by Ankit (introduction to slurm by Kuang); answer
• Final project (due Wednesday, May 9); in addition, a brief presentation on your project is required in the class on either Apr. 23 (Mon) or Apr. 25 (Wed); see Ten questions for students taking a qualifying examination by Prof. Nenad Medvidovic (USC/CS)