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Possessing a unique blend of quantum chemical modeling, molecular dynamics simulation, and experimental chemistry expertise, they are dedicated to advancing data-driven chemical discovery and mechanistic understanding. With a keen eye for theoretical-experimental integration and a commitment to scientific rigor and reproducibility, they consistently deliver impactful research outcomes. With over 3 years of academic research experience spanning computational chemistry, spectroscopy and materials synthesis, they are eager to bring my expertise to your innovative research team. They are excited about the opportunity to contribute and are confident in their ability to help achieve breakthroughs in molecular design, simulation, and materials development. Let’s connect to discuss how their skills and experience align with your needs.
Relevant Skills
Programming & Math Software: C, Python, R, Origin, Mathematica
Chemistry Software: ChemOffice, Gaussian, GAMESS, MestReNova, JADE
Instruments & Data Analysis: NMR, XPS, XRD, ICP-AES, Raman, FT-IR, TEM & EDS, SEM, N2 Isotherm, etc. (Familiar with physical, organic, and analytical chemistry experiments, and basic physics and biology experiments)
Research Assistant in Simulation of Fluorescence Anisotropy in 1,2’-Bipentacene (BP) Systems | May 2025 – Present
· Found vibrational normal modes by using GAMESS, and identified the bright excited state of a BP molecule
· Used Velocity Verlet and SHAKE algorithm to impose constraints, and added corresponding code to PySCES
· Used PySCES to run molecular dynamics simulations of a BP molecule in the excited state
· Calculated the fluorescence anisotropy at each simulation step, and carried out FFT on the anisotropy
Research Assistant in Theoretical Calculation of Circular Dichroism (CD) of Cu Salen Linear/Helical Polymer | December 2024 – June 2025
· Used Gaussian to optimize geometry, get molecular orbitals, and calculate excited states
· Built a model to find the formula connecting CD with electric and magnetic dipole moment, and quadrupole moment
· Calculated and made plots of CD, and compared them with experimental data
Undergraduate Thesis in BN-Assisted Synthesis of LTL Zeolite and Its Applications | January 2024 – June 2024
· Mixed deionized water, KOH, aluminum foil, and silica dioxide powder with different content of 2D boron nitride under stirring, aged at room temperature and heated in the oven
· Heated for different times to investigate the crystallization kinetics of LTL zeolite
· Carried out subsequent characterization and a condensation reaction: the Knoevenagel reaction of benzaldehyde and malononitrile
Cobalt Impregnation & Noble Metals Displacement - HER Reaction | September 2023 – December 2023
· Dissolved resorcinol by stirring with F-127, added hexamethylenediamine and formaldehyde, and heated in an oven to obtain the phenol-formaldehyde resin
· Impregnated phenol-formaldehyde resin in cobalt nitrate solution under vacuum and then heated to 800℃ in a tubefurnace to be fired into carbon material
· Mixed Carbon material with an aqueous solution containing Ru and Pt, then burned in a tube furnace after filtering, washing and drying for a period of time
· Used XRD to test the presence of precious metals to decide whether to conduct further electrochemical test
· Made working electrodes by carbon powder and glassy carbon electrodes using Nafion solution; measured HER reaction in KOH solution with Hg-HgO reference electrode
Synthesis of Nanoneedle ZSM-48 Zeolite | August 2023 – October 2023
· Mixed water, KCl, structure-directing agent, 10% NaOH solution, 5% aluminum sulfate, 40% SiO2 under stirring
· Aged at room temperature and dried in the oven; obtained zeolite after centrifugal washing
· Assisted subsequent characterization, including TEM, N2 isothermal adsorption-desorption analysis, and two reactions: the Knoevenagel reaction of benzaldehyde and malononitrile, and the conversion of xylose to furfural
Bachelor of Science, Major in Chemistry | September 2020 – June 2024
· Cumulative GPA: 3.76/4.0 (3/96); Core Major GPA：4.0/4.0 (1/96)
· Honor/Awards: Professional Scholarship (1%, 07/2022); First-class Merit Scholarship (5%, 07/2021)
Master of Science, Major in Chemistry | August 2024 – July 2027 (Expected)
Cumulative GPA: 4.13/4.00
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