Bio
I am a research programmer in the Molecular Modeling and Drug Design lab at The Scripps Research Institute (Forlilab). My work lives in the intersection of chemistry, physics, biology, and computer science, all of which contribute to the development of the Autdock toolset for molecular modeling in drug design. I’m especially focus on the small molecule portion of the pipeline.
In the past I have also worked on the development of new electronic structure methods for atoms and molecules.
PhD in Physical Chemistry | Iowa State University 2014 - 2019
BS in Biochemistry | Kutztown University 2010-2014
Experience
The Scripps Research Institute [2024 - present]
Topics: HPC, small molecule conformer generation, data science in drug discovery, property prediction with ML, flexible docking, quantum chemistry in drug discovery
Pacific Northwest National Laboratory [2021 - 2024]
Topics: solvated electron, excited states in squaraines, platinum clusters and surfaces, MBE for metals, machine learning
University of Colorado, Denver [2019-2021]
Topics: adaptive partitioning schemes, semi-empirical methods, thiol-protected gold nanoclusters, software development in GAMESS
Iowa State University [2014-2019]
Topics: excited states, spin-flip method development, gold clusters, DFT/TDDFT, software development in GAMESS.
Research Interests
- Multi-reference electronic structure methods
- Metal clusters and surfaces
- High-performance computing
- Machine learning and data science
- Functional programming in scientific computing
Hobbies
- photography
- science fiction
- football (Forza Milan!)