Advancing the frontiers of chemistry, biochemistry, and chemical engineering. We specialize in developing and applying state-of-the-art computational methods to study complex biomolecular systems.
BIA Lab aims to shape a future where bioengineering and artificial intelligence work seamlessly together to understand, design, and control biomolecular systems with unprecedented precision.
We strive to become an international reference in modeling proteins, enzymes, and biomaterials, driving innovation in health, biotechnology, and chemical engineering through open, interdisciplinary science.
The mission of BIA Lab is to develop and apply artificial intelligence and computational simulation methods to study and engineer biomolecular systems and chemical processes.
We work at the interface of chemistry, biology, and data science, integrating molecular dynamics, quantum methods, and machine learning to train the next generation of scientists and foster high-impact collaborations.
Our research applies state-of-the-art computational tools, bridging quantum physics and artificial intelligence, to solve complex biomolecular and chemical engineering challenges.
Modeling complex chemical reactions and enzymatic catalysis by bridging high-accuracy quantum mechanics with macroscopic molecular mechanics.
Simulating the physical movements of biomolecules to understand dynamic conformational changes and rigorously compute binding free energies.
Computationally predicting how ligands bind to macromolecular targets to accelerate drug discovery and design innovative therapeutic compounds.
Leveraging machine learning and artificial intelligence to uncover hidden patterns, optimize chemical processes, and accelerate the development of novel materials.
