Education
The Chinese University of Hong Kong (CUHK)
09/2026 – Present
Ph.D. in Chemistry, Department of Chemistry
- Pursuing doctoral studies in the Department of Chemistry at CUHK.
Zhejiang University
07/2022 – 06/2026
Bachelor of Science in Chemistry
- GPA: 3.81 / 4.3
- Related Courses: Structure and Spectroscopy / Analytical Chemistry / Physical Chemistry / Organic Chemistry
Awards
- Outstanding Graduate of Zhejiang University (ZJU University-level), 2026
- First Prize (TOP 6%) in National Undergraduate Chemistry Experiment Innovation Design Competition, 2024
- Gold Medal and Grand Prize (TOP 1) in the 4th 2025 SynBio Challenges
- Silver Medal in International Genetically Engineered Machine Competition (iGEM), 2025
- Zhejiang University Scholarship in 2022-2023, 2024-2025
- Academic Excellence Pacemaker in 2022-2025
- Stuttgart Scholarship in 2024-2025
- Liyue Venture Capital Scholarship in 2024-2025
Publications
- Liu, Yingchun; Liu, Ting-Ting; Zhang, Yinan; Lu, Xinkai; Wang, Qi; Long, Yun. A WebApp for Digitalized Exploration of Binary Vapor-Liquid Equilibria and Distillation. Journal of Chemical Education, 2026, Accepted April 2026, https://doi.org/10.1021/acs.jchemed.5c01256.
- Xu, Li-Cheng; Zhu, De-Xin; Tang, Miao-Jiong; Liu, Ting-Ting; Liu, Yi-Ze; Ma, Chun-Hui; Li, Zhe-Xu; Zhang, Shuo-Qing; Hong, Xin. Transforming Molecular Synthesis With Large Language Models. Chemistry – A European Journal, 2026, e71074, https://doi.org/10.1002/chem.71074.
Research Experience
Molecular Dynamics Study on DICER–RNA Interaction Mechanism
06/2025 – 08/2025
LIFS Summer Research Program 2025, Supervised by Prof. Tuan Anh NGUYEN (HKUST)
- Computational Modeling & Simulation: Leveraged GROMACS to construct and optimize DICER–RNA–ion complex models. Swapped Ca²⁺ with Mg²⁺ to probe ion effects on interactions, and performed RNA base-swap (e.g., C→G) simulations. Supplemented protein structure inputs via AlphaFold to ensure model fidelity.
- Structural Visualization & Analysis: Utilized PYMOL and VMD for 3D structural visualization. Quantified residue–base spatial distances (focusing on the 0.3 nm H-bond threshold) to validate interaction patterns. Illustrated critical binding-dissociation behaviors of E1564/R1855 residues with RNA bases.
- Key Findings: Ion-replacement tests revealed Mg²⁺ vs Ca²⁺ had negligible impact on E1564–G distances (>0.3 nm), eliminating ion type as a solution to the spatial paradox. RNA base-swap experiments confirmed cytosine (C) is indispensable for maintaining close-range R1855 interactions.
Cognitive Understanding of Scientific Research
04/2024 – 01/2025
Supervised by Prof. Yingchun Liu & Prof. Ruikang Tang
- Molecular Dynamics Simulation Study: Used GROMACS in MD/SMD/umbrella sampling to compare SARS-CoV-2/SARS-CoV binding to ACE2. Analyzed RMSD/SASA/RMSF via VMD to explain 20x higher affinity. Built ubiquitin protein (1UBQ) simulation systems. Analyzed Rg, interactions, trajectories, contact maps, secondary structure (DSSP), and force/distance changes in SMD.
- Data Processing and Analysis: Leveraged PubChemPy to retrieve chemical data from the PubChem database, and utilized Pandas for structured storage, processing, and analysis of the acquired data.
- Cheminformatics Analysis: Applied RDKit for SMILES processing, descriptor computation (MolWt, LogP), and substructure searches. Computed Morgan fingerprints for similarity comparison; performed orbital analysis via PySCF (Hartree-Fock calculations) and visualized results with py3Dmol.
- Biological Techniques: Performed viral plaque assays to quantify bacteriophage activity, mastering cell culture, agar overlay, and viral titer calculation.
Large-Area 2D Single-Crystal Synthesis of Anthracene Derivatives for Optoelectronic Applications
04/2024 – 11/2024
Project Leader, Student Research Training Program (SRTP), Supervised by Prof. Haiming Zhu
- Selected anthracene derivatives for superior blue-light emission properties.
- Optimized crystal growth conditions (temperature, pressure, duration) to achieve uniform 2D single crystals with controlled morphology.
Competition Experience
Digitalized Exploration Experiments on Vapor-Liquid Equilibria and Distillation
07/2024 – 12/2024
Captain, National Chemistry Experiment Innovation Design Competition, Supervised by Prof. Yingchun Liu & Prof. Qi Wang
- Developed an interactive web application based on React.js and d3.js. Integrated a Vapor-Liquid Equilibrium (VLE) phase diagram generator (supports real-time visualization of over 10,000 data points) and a dynamic simulation module for two-component distillation columns.
- Transformed the NRTL and the WILSON thermodynamic equations into computable models. Optimized solution efficiency by using the bisection method. Calculation accuracy reached the laboratory level (error < 1.5%), solving the problem of lagging dynamic response in traditional teaching tools.
- Based on 500+ pieces of user behavior data collected by the platform, organized the relevant achievements into a paper for submission to J. Chem. Educ. and proposed an optimization framework for experimental teaching based on digital twins.
International Genetically Engineered Machine (iGEM) Competition
01/2025 – 11/2025
Dry-lab Member of 2025 ZJU-China, Supervised by Prof. Ming Chen
- Designed scientific schematics and research illustrations for synthetic biology workflows (e.g., gene circuit logic, enzyme-substrate interactions) using Figma, Adobe Illustrator and BioRender.
- Streamlined complex biochemical concepts into intuitive diagrams (3D models, flowcharts), enhancing team communication and competition deliverables.
- Aligned visual narratives with experimental validation, ensuring consistency in the team's Wiki and presentations.
Campus Involvement
Vice Minister, Office Department, Chemistry Department Student Union
10/2023 – 06/2024
- Managed financial reimbursements for union activities (¥70,000+ budget).
- Organized large-scale events (e.g., Annual General Assembly for 300+ attendees, Graduation Gala).
Officer & Advisory Member, Zhejiang University Career Development Association
10/2022 – 06/2023
- Coordinated with 20+ companies (e.g., L'Oréal, KPMG) for on-campus recruitment, managing pre-event logistics (venue booking, email confirmations), on-site support, and post-event feedback collection.
Five-Star Volunteer
08/2022 – 07/2024
- Summer Teaching Program (Vice Team Leader): Managed educational activities for 200+ students in rural Sichuan.
- Completed 250+ service hours across community tutoring, environmental campaigns, and elderly care initiatives.
Skills
- Software: C++, Python, GROMACS, VMD, Figma, ChemDraw, PyMOL, Origin, Pandas, NumPy, RDKit, Jupyter, Microsoft Office, React, PubChemPy
- Languages: Chinese, English (IELTS: 7.0)
- Laboratory Techniques: Spectroscopy (UV-Vis, IR, NMR), Chromatography (HPLC, GC), Titration, Organic Synthesis
Research Interests
- Computational study of organic/organometallic catalytic mechanisms (e.g., C-H functionalization, asymmetric synthesis) via DFT.
- Development & application of MLIPs for simulating dynamics/entropy in complex chemical systems.
- Automated high-throughput quantum chemistry workflows integrated with machine learning.
— Resume of Tingting Liu —