• Develop and execute cGMP documentation and test protocols for validation, qualification, and decommissioning of benchtop laboratory equipment (thermal validation systems, particle counters, cell viability analyzers, plate washers, plate readers, liquid handlers)• Develop system lifecycle documentation (quality assurance plans, requirements/configuration specifications, installation/operational qualification test protocols, summary reports) supporting the deployment of new/upgraded automation systems and manufacturing process equipment• Develop change management documentation / project change controls for automation systems in a pharmaceutical manufacturing environment, including leading design reviews, initiating change proposals, performing impact assessments, and assigning/executing change implementation tasks• Support plant operations by performing recipe/parameter changes and alarm troubleshooting on sterile supply equipment, including hands-on cycle development work with autoclaves and parts washers in a clean room environment• Use AssetCentre software to manage PLCs, HMIs, equipment configurations, and audit trail information• Perform security vulnerability remediation on automation servers

• Created Django application, SQL database of 3D protein structures and drug binding affinities; developed tools to featurize graph- and sequence-based representations of small-molecule drug binding; trained machine learning models with PyTorch to accelerate discovery and design of novel pharmaceuticals• Developed automated high-throughput workflows integrating LAMMPS and OpenMM atomistic simulation packages, SigOpt Bayesian optimization, electronic structure calculations, and multi-GPU/CPU acceleration to develop molecular force fields and property prediction models for electrolyte materials• Wrote or contributed to multiple in-house software packages for database management, cheminformatics, and machine learning, including documentation and tutorials for program users and new group members

• Worked on team to develop a solid texture synthesis algorithm for generating synthetic 3D microstructures using 2D optical microscopy images• Mentored a first-year intern in the basics of parallelization and job submission on a high-performance computing cluster• Published results and presented poster at 3DMS 2016 conference

• Using Photoshop and Python image analysis tools, analyzed X-ray tomography images of melting pellets of simulated borosilicate waste glass to study effects of silica content on foaming behavior • Correlated final waste glass composition with rate of foam production to optimize vitrification of nuclear waste materials for safe long-term storage• Worked with a large team of international collaborators to publish results

• Developed molecular dynamics and Monte Carlo simulations in C++ and Python to predict phase behavior of nano-confined materials• Researched and implemented methods to increase simulation efficiency, including histogram reweighting, flat-histogram sampling, and replica-exchange methods• Developed weekly reports for supervisor describing progress, obstacles, and short-term goals

• Modeled thermal-hydraulic processes in nuclear reactor components using finite element fluid flow / heat transfer simulation tools and process modeling software like Aspen Plus/HYSYS and Abaqus/CFD• Performed FEM simulations using MOOSE (multiphysics object-oriented simulation environment) C++ based framework to assess effects of irradiation on thermal transport characteristics of novel metal-matrix composites• Analyzed experimental data to determine effects of high-temperature annealing, material composition, and extent of irradiation damage on material performance• Used DREAM.3D to construct synthetic microstructures and Gmsh to construct FEM meshes• Became familiar with job scheduling, resource allocation, and MPI parallelization on HPC cluster• Published results and presented paper at TMS 2016 conference

• Tutored 4-6 hours/week (2-3 students/semester) in mathematics, physics, and chemistry courses• Tracked progress of students while guiding them to be successful, independent learners• Developed students' studying, organizational, and time-management skills by encouraging critical reflection and frequent evaluation of progress toward semester goals• Reported successes and challenges of each student to supervisor to refine tutoring strategies