Aik Rui Tan Email & Phone Number

Gloucester, Massachusetts, United States

Development of software infrastructure and machine learning for control of plasma-based processes.

Cambridge, Massachusetts

Advisor: Professor Rafael Gómez-BombarelliResearch work: developing machine learning models for accelerated materials simulations and discovery, and software packages for computational materials science.Some accomplishments:- Developed deep learning models using adversarial attacks and uncertainty quantification to improve robustness of neural network potentials (published in Nature Communications).- Created benchmarks for uncertainty quantification in graph neural network models for materials and molecule simulations (published in npj Computational Materials).- Proposed time-series graph theory on molecular dynamics trajectories to analyze network glass material systems (published in Computational Materials Science).- Developed automation pipeline and software for data mining, atomistic simulation, and machine learning for materials.

Monroeville, Pennsylvania, United States

- Developed machine learning models for electricity generation predictions.- Productionized models through database management, model refinement, and front-end development for real-time forecasts.- Designed a simplified model to analyze power flow within the electricity grid.

Gloucester, Massachusetts, United States

- Automated particle-in-cell simulations and analysis for equipment design.- Optimized plasma uniformity at wafer for ion implantation machines.

Shukla Group at University of Illinois Urbana-ChampaignResearch Field: Study of agrochemical's toxicity using deep learning neural networks- Developed neural network models for predicting molecular toxicity in agricultural chemicals.- Studied model interpretability and toxicity-inducing functional groups based on molecular representations.

Class: MSE 489 (Materials Selection for Sustainability)

Ncsa, Urbana, Illinois

Project: Benchmarking machine learning methods used in property prediction of crystalline structures- Implemented deep learning frameworks with crystalline structural descriptors from research articles for public use.- Benchmarked models for property prediction and materials design

Urbana-Champaign, Illinois Area

Ferguson Materials Research Group at University of Illinois Urbana-ChampaignResearch field: Enhanced sampling of peptides using auto-associative neural networks- Integrated auto-associative neural networks and nonlinear dimensionality reduction for umbrella sampling of alpha helix and beta hairpin peptide structures (published in J. Chem. Phys.).

Doctor Of Philosophy - Phd

Bachelor Of Science - Bs

Cambridge International A Level