Shao Yu Lu

I have a solid history of success in executing start-of-the-art quantum chemistry methods for predicting chemical properties of molecules, atomistic simulations of solid-state material, surface chemistry, heterogeneous catalytic reactions, and nonlinear/linear spectroscopies. I am instrumental in various programming languages implemented in scientific algorithms and programming, like Q-Chem, CASTEP, SIESTA, TeraChem, and Gaussian.
My key expertise includes:
● Strategic Research & Analysis
● Computational Quantum Simulation
● Process Redesign & Improvement
● Data Mining & Visualization
● Material & Molecular Modeling
● Electronic Structure Methods
● Code Writing & Optimization
● Time Management
● Team Leadership & Collaboration
I am equipped with a strong capability to write new code, perform scientific research through peer-reviewed publication records. I am recognized for strong background in the long-chain propagation of heterogeneous catalytic reactions especially in the study of reaction dynamics of chemical adsorbents on the material surface. I am technically proficient in developing tools for different quantum simulation projects and data analysis simultaneously while delivering outcomes within budgetary/time constraints.

● Strategic Research & Analysis
● Computational Quantum Simulation
● Process Redesign & Improvement
● Data Mining & Visualization
● Material & Molecular Modeling
● Electronic Structure Methods
● Code Writing & Optimization
● Time Management
● Team Leadership & Collaboration

Tamkang University logo Tamkang UniversityTamkang University Doctor of Philosophy (Ph.D.), ChemistryDoctor of Philosophy (Ph.D.), Chemistry 2008 - 2015

Thesis: Ab-initio Molecular Dynamic Simulation Studies: 1. Temperature induced carbon-halogen dissociated reaction and Cα-Cα self-coupling reactions 2. STM-tip induced CO (ads) desorption reaction and inelastic electron tunneling Spectroscopy