Wilkes grad will give inaugural ‘Lecture in Chemistry’ on Oct. 19

WILKES-BARRE — Wilkes University will launch its Henry J. and Linda C. Pownall Lecture in Chemistry on Oct. 19 with a presentation by a 1983 alumnus on using machine learning in quantum chemistry.

David Yaron, a professor of chemistry at Carnegie Mellon University, will deliver the lecture in room 105 of the Stark learning Center at 7 p.m. The full title is “Using Machine Learning to Improve Quantum Chemistry and to Advance Student Learning.”

“Machine learning” refers to a type of artificial intelligence that results in software essentially adjusting itself to better accomplish its purpose without requiring a person to reprogram it. The software has algorithms that use historical data from its performance as input to predict new results.

Quantum chemistry studies the properties of molecules and their reactions. According to sciencedirect.com, computer advances have led to chemists using “quantum chemistry to understand, model, and predict molecular properties and their reactions, properties of nanometer materials, and reactions and processes taking place in biological systems.”

A media release about the lecture explains that “data science” — amassing and manipulating large amounts of data — or can be applied to improve student learning. “Data science impacts two distinct research areas that address long-standing challenges in chemistry: quantum chemistry and student learning. Tools of deep machine learning can help develop low-cost quantum chemistry models that are both computationally fast and accurate. In student learning, open learning initiatives gather millions of records on how students learn chemistry, critical in helping to improve teaching and learning.”

Yaron got his bachelor’s degree in chemistry from Wilkes, his doctorate from Harvard in 1990, and completed post-doctoral work at MIT. He joined Carnegie Mellon in 1992, and developed quantum chemical methods “for large systems, including especially organic materials for electronic and photophysical applications.”

Recently, Yaron “has been working on ways to integrate machine learning into quantum chemical models and has developed a neural network that performs quantum chemical calculations within the network.” Neural networks are computer programs designed to mimic the way the human brain works in recognizing underlying relationships in data sets.

Yaron also develops and studies educational materials through his ChemCollective project and Open Learning Initiative (OLI) courseware.

According to chemcollective.org, the project’s goals “are to support a community of instructors interested in improving chemistry education through interactive and engaging online activities.” Yaron’s Open Learning Initiative, according to the Carnegie Mellon website (cmu.edu)”helps provide free resources for high school and higher education teachers.” Yaron developed the OLI in response to the move to online learning during the COVID-19 pandemic to help teachers translate lab work to the virtual environment.

The Lecture in Chemistry was established thanks to Henry J. and Linda C. Pownall. Henry Pownall graduated from Wilkes in 1967 with a master’s degree in chemistry and earned his doctorate in physical chemistry at Northeastern University. He did post-doctoral fellowships in molecular spectroscopy at the University of Houston and in biochemistry at Baylor College of Medicine.

The lecture is free and open to the public. Advanced registration is encouraged, but not required. More information is available at wilkes.edu/lectureseries.