Chemistry × Data Science

Chem is try — the art of transforming matter.
Data is Do, Analyze, Think, Act — the art of transforming meaning.

Research

I'm mostly focused on the electrochemistry memristor development, the interdisciplinary project involves:

  • Electrochemistry memristor construction and analysis
  • Neural networks, machine learning developments
  • Molecular dynamics analysis
  • DFT, COMSOL simulation

Kirchhoff’s law for memristors

Extends Kirchhoff’s laws to include memristive elements, capturing the dynamic relationship between voltage, current, and memory-dependent resistance in circuit analysis.

Project page →

Construct neural network

Designs a neural network model to emulate memristor behavior, capturing its nonlinear current–voltage dynamics and memory-dependent resistance for circuit prediction and optimization.

Project page →

MD simulation and nanopipette simulation

Simulates ionic transport and electrochemical behavior in nanopipettes to study nanoscale sensing, flow, and conductance mechanisms.

Project page →

Publications

Selected papers. Full list on Google Scholar.

Teaching

  • CH101/102/131 — General & Fundamental Chemistry (BU)

    Stoichiometry, states of matter, acids/bases, equilibrium, and selected chemical systems.

  • CHEM 4000/6000 — Quantitative Chemical Analysis (GSU)

    Quantitative analysis, titrations.

News

  • Dec, 2024: Paper accepted by Springer Nature in Chemistry Africa.
  • Jul, 2023: ASP Conference at Maryland.
  • Dec, 2019: Paper accepted by ACS Analytical Chemistry.

Toolkit

Tool 1 — Gamry DTA → Excel (Online)

Convert common Gamry .DTA electrochemistry files (CV/CA/CP/EIS, etc.) into an Excel workbook directly in your browser. Your file is processed locally on your device (no upload).

Choose a file to enable conversion.

What will the Excel contain?
  • Sheet per curve: Curve 1, Curve 2, … (each ... TABLE block (e.g., ZCURVE TABLE, CURVE1 TABLE))
  • Columns: exported as-is from the DTA table
  • Optional: a Header sheet with key/value metadata parsed from the file

Tool 2 — Equation + Data Visualizer (Online)

Plot custom equations and overlay them with experimental datasets from Excel/CSV. To keep this page uncluttered, the visualizer opens in a separate tab/window. Everything runs locally in your browser (no uploads).

  • Equations: exp/sin/cos/tan/log/sqrt/abs, powers (^), constants (pi, e)
  • Data: upload one or more Excel/CSV files (two columns: x,y) for comparison
  • Overlays: assign curves/datasets into up to 10 figures

If a pop-up blocker interferes, use “Open in this tab”.

Contact

Suwen Shi
Chemistry / Georgia State University
Atlanta, GA, USA

Email: sshi5@gsu.edu