Han Wang Email & Phone Number

Berkeley, CA

• Study of X-ray absorption spectroscopy (XAS) of metal-organic framework (MOF) Cu L-edge XAS of different guest molecules absorbed on CuI-MFU-4l were simulated with linear-response time-dependent density functional.
• Development of a simulation methodology for UV pump-XUV probe measurements A multi-reference theory based scheme was developed to completely simulate UV pump-XUV probe measurements. It combines the CASSCF/CASPT2.
• Study of photodissociation dynamics of CHBr3The ultrafast dynamics of C-Br bond breaking process of CHBr3 was studied with LR-TDDFT implementation of FSSH method. With core-level near-edge XUV/X-ray absorption.
• Study of X-ray absorption spectroscopy (XAS) with hybrid functionalA code was developed to perform many-body XAS simulation based on the hybrid functional wavefunctions generated from Quantum ESPRESSO. Multiple.

Troy, NY

Study of structural and electronic properties of two-dimensional (2D) materials with first-principles methods. Study of carrier transfer process in heterojunctions with real-time time dependent density functional theory molecular dynamics (rt-TDDFT-MD) simulations.Parallelized a SIESTA based rt-TDDFT-MD code with Message Passing Interface (MPI) in Fortran.

Troy, NY

Worked with student one-on-one with their problems on the quantum mechanics and homeworkGraded assignments and exams

Troy, NY

Guided students through experiments and set up experiments for themWorked with student one-on-one with their problems on the course and homeworkGraded assignments and exams

Malta, NY

Studied the Schottky barrier height of metal-semiconductor interface in FinFET with first-principles calculations. Investigated the effect of defects on the Shottky barrier height and looking for possible solutions to reduce resistivity of the metal-semiconductor interface in semiconductor devices.Revised Quantum ESPRESSO code to perform metaGGA.

Doctor Of Philosophy (Ph.D.), Condensed Matter Physics

Activities and Societies: RPI Sport Tae Kwon Do

Bachelor Of Science (Bs), Physics

Activities and Societies: Robotteam