Big Data and Quantum Mechanics
Georgia Tech VIP Team
About
Leverage advances in machine learning and data analytics to enable faster and more accurate calculations of chemical properties using quantum-mechanical techniques such as density functional theory (DFT). Students will learn about applications of quantum-mechanical simulations in photocatalysis and electrocatalysis, with particular focus on nitrogen fixation and water oxidation. These reactions have the potential to help alleviate global hunger by enabling distributed fertilizer production and helping to provide clean energy based on hydrogen fuel derived from water. Simulation of molecular and surface systems using DFT calculations on high-performance computing resources; Training and testing of neural network models designed to predict energies of molecular and surface structures; Software development of tools for training, testing, and visualizing machine learning models for molecular systems. Note: This course does not involve any quantum computing or development of quantum-mechanical theories. For a detailed overview of topics covered in the training semester, please review the course Jupyter Book via the link below.
Majors
Computer Science – Online MS, Chemical and Biomolecular Engineering, Computer Engineering, Materials Science and Engineering, Chemistry, Mathematics, Physics, Statistics
How to apply
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