Chemistry Student Projects

The Wolfram|Alpha Chemistry Team
Explore the projects students completed during their Wolfram program!

Wolfram Emerging Leaders Program

Name
2024
Analyzing and visualizing the human protein-protein interaction network
Established and novel methods for protein analysis in Wolfram Language
2023
Enhancing Photosynthesis: Computational Visualizations Through Micro and Macro Scales
Implementing Chemical Kinetics Functions to the Wolfram Language
PLAPT: Protein-Ligand Binding Affinity Prediction Using Pretrained Transformer Models

Wolfram High School Summer Research Program

Name
2025
Analyzing Metal Interactions with Cryptococcus Neoformans
Automated Insulin Dosing Strategy in People with Type 1 Diabetes
Chaotic Mineral Flow Simulation for Deposition Analysis
Exploring Small Molecule Binding with Interleukin Proteins
Exploring the Thomson Problem on Different Surfaces With Different Solution Algorithms
Identifying Reactive Functional Groups
Modeling DNA Knot Dynamics
Modeling Tumor-Immune Interactions with Chemotherapy via Delay Differential Equations
Simulating surfactant-water interactions for applications in cloud seeding
Visualizing & analyzing genetic mutations causing sickle cell anemia
Visualizing Diatomic Molecular Orbitals
Name
Podcast
2024
Analyzing molecular cages
—
Analyzing polysaccharide bonding in Cryptococcus neoformans
episode
Building functions to classify chemical reaction properties
—
Building nanobelts in silico
—
Distributions of shape parameters for randomly generated amino acid sequences
—
Exploring isomerism in coordination complexes
—
Optimizing dosing regimens for multi-compartment pharmacokinetic models
—
Studying the decomposition of radioactive material from supernovae
episode
Name
2023
Build a function for biochemical enzyme kinetics
Categorizing protein sequences based on foldings
Create a function to compute colligative properties of binary solutions
Mapping reactivity in organic chemistry
Name
2022
Create molecules with a particular boiling point
Prediction methods for locating a-helices after protein folding
Year
Name
2021
Building a graph-based reaction network
Year
Name
2020
Comparing different methods of calculating DNA melting temperature
Name
2019
A Computational Method to Predict X Ray Diffraction (XRD) Patterns
Exploring Lifetime Distributions for Nuclear Isotope Decay Cascades
Implementing a Visualizer for DNA Sequence Alignments
Visualizing Molecular Orbitals for One Electron Diatomic Molecules
Year
Name
2018
Using Machine Learning to Diagnose Pneumonia from Chest X Rays
Year
Name
2017
Interactive Clausius-Clapeyron Phase Boundaries

Wolfram Institute

Year
Name
Paclet
2023
Chemical Oscillators and Rewrite Systems
OpenChemicalSystems

Wolfram Science Winter School

Year
Name
2023
A Multiway Model of Chemical Reactions

Wolfram Summer School

Year
Name
2025
Spatiotemporal characterization of protein molecular dynamics trajectory
Name
2024
Analyzing multiway chemical reaction networks using chemical space networks
Modeling of interactions in aqueous electrolyte with peptide additive
Name
2023
Chemical space networks from molecule data
Coffee roasting curve analysis
Exploring spin dynamics: an Ising model study
Year
Name
2021
Computing hydrocarbon chemical reactions based on graphs
Name
2020
Constructing protein surfaces
Design & Implementation of Data Structure of Crystalline Atomic Data
Function to compute the microwave spectrum tables from a molecule
Towards an Organic Chemical Reaction Pathways Calculator
Year
Name
2019
Converting a Chemical Structure to its Graph Representation
Year
Name
2018
Modeling Protein Structure of Viral Capsids
Year
Name
2017
Predicting Chemical Properties from Chemical Structure
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Last updated: 11/6/25