Zackary Falls
Assistant Professor at Jacobs School of Medicine and Biomedical Sciences at the University at Buffalo
Buffalo, New York, United States
Summary
👤
Senior🎓
Top SchoolZackary Falls is an Assistant Professor and computational chemist with 11 years of experience bridging academic research and biomedical informatics at the University at Buffalo. He built XtalOpt, an open-source C++ evolutionary algorithm for crystal structure prediction, and has deep expertise in modeling heterogeneous catalysis and small-molecule interactions with proteins and RNA. His postdoctoral work produced a computational drug discovery platform (CANDO) and applied diverse docking and dynamics tools, complemented by robust Python data-analysis pipelines. Comfortable managing multiple collaborative projects, he has led lab operations, organized peer teaching, and maintained research infrastructure such as Linux servers and project wikis. Based in Buffalo, NY, he blends hands-on software development with domain knowledge in chemistry and drug discovery, making him adept at translating complex molecular problems into reproducible computational workflows. A not-often-stated strength is his track record of turning academic codebases into usable, community-facing tools that support both research and teaching.
11 years of coding experience
2 years of employment as a software developer
Bachelor of Science (BS), Chemistry, Bachelor of Science (BS), Chemistry at Canisius CollegeDoctor of Philosophy (Ph.D.), Computational Chemistry, Doctor of Philosophy (Ph.D.), Computational Chemistry at University at Buffalo
Github Skills (27)
docking10
evolutionary10
biomedical-informatics10
shotgun10
differential-evolution10
bioinformatics10
toolbox9
clinical-trials9
electrophysiology9
drug-discovery9
computational-biology9
python8
machine-learning8
molecular-simulation8
prediction7
Programming languages (4)
Github contributions (5)
ram-compbio/CANDO
Aug 2019 - Jul 2022
Computational Analysis of Novel Drug Opportunities
Contributions:25 releases, 97 commits, 6 PRs in 2 years 11 months
computational-analysisclinical-trialsdockingopportunitiestoolbox
zfalls/zfalls.github.io
Apr 2015 - Aug 2023
Personal website on GitHub Pages
Contributions:85 pushes, 1 branch in 8 years 5 months
Find and Hire Top DevelopersWe’ve analyzed the programming source code of over 60 million software developers on GitHub and scored them by 50,000 skills. Sign-up on Prog,AI to search for software developers.