Liberal Arts and Sciences
Quintana Lab
Led by Ramon Alain Miranda Quintana · Chemistry
What we study
The Quintana Lab uses mathematics and computer simulations to study chemical behavior, from single electrons to large collections of molecules. They develop computational methods for tasks like clustering huge molecular libraries and modeling solvation effects, explaining complex chemistry with digital tools.
What working here is like
- Computational
- No organisms (data only)
- Coding required
- Projects
- 3
- Papers
- 5
Current projects
BitBIRCH: efficient clustering of large molecular libraries
Developing fast algorithms to group millions of molecules for virtual screening.
Coupled cluster-inspired germinal wavefunctions
Creating new quantum‑chemical methods that improve accuracy of electron calculations.
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Clustering Infinite Molecules
The lab creates fast methods to group huge sets of molecules for drug design. The student rewrote the BIRCH algorithm in C++, added KMeans and hierarchical clustering, and showed speed improvements of 88% for hierarchical and 6% for KMeans clustering.
From the Spring 2025 UF Undergraduate Research Symposium · abstract book, p. 596
Summaries are written by AI in plain language from public symposium abstracts and may be imperfect.
Recent papers, explained
- Scaling k -Means for Multi-Million Frames: A Stratified NANI Approach for Large-Scale MD Simulations
2026 · Journal of Chemical Information and Modeling
Improves k-means clustering for molecular dynamics simulations with new seeding strategies that speed up processing while keeping results accurate.
- Undersampling Techniques for Nonlinear Chemical Space Visualization
2026 · Molecular Informatics
Tests how to simplify chemical space maps without losing key details.
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- Exploring New Construction Schemes for Extended-Hierarchy Configuration–Interaction Wave Functions
2026 · The Journal of Physical Chemistry A
Explores new ways to organize complex math models for chemistry problems.
- |∆ μ | Big Is “Not Bad”? A Quantitative Assessment
2026 · International Journal of Quantum Chemistry
Checks if bigger molecules are always better in chemical reactions.
- Efficiently Finding Activity Cliffs with BitBIRCH
2026 · Journal of Chemical Information and Modeling
Builds a tool to find sudden drops in drug effectiveness using a clustering method.
Plain-language summaries are AI-written and reviewed by us; check the paper for details.
How to reach out
Ramon Alain Miranda Quintana hasn't set up this page yet. You can also look them up in the UF directory (search “Ramon Alain Miranda Quintana”).