Christopher Collison

Professor

School of Chemistry and Materials Science

College of Science

Jane King Harris Endowed Professorship

Director, AI Hub and Initiatives

cjcscha@rit.edu

585-475-6142

Office Location

GOS-3290

Christopher Collison

Professor

School of Chemistry and Materials Science

College of Science

Jane King Harris Endowed Professorship

Director, AI Hub and Initiatives

Education

BS, Ph.D., Imperial College London (United Kingdom)

Bio

My research focuses on the application of artificial intelligence, particularly large language models and autonomous agents, to challenges in chemistry and chemistry education. My most recent project delves into using voxel-based representations within fine-tuned convolutional neural networks. This approach aims to accurately predict the free energy of solvation, a critical factor dependent on the 3D conformations of molecules. This work is instrumental in advancing drug development, particularly in predicting ligand-protein docking, a key process in pharmaceutical research.

My foundational training as a physical and materials chemist, with specialized expertise in photoactive materials, has provided me with a deep understanding of molecular behavior and interactions. In the last decade I concentrated on organic photovoltaics, where I explored the impact of small molecule packing and the role of aggregation in charge transport and photoinduced charge generation at donor-acceptor interfaces. Additionally, my work with photoactive self-healing polymers further reinforced my ability to analyze and manipulate complex materials.

This extensive background in chemistry and materials science now informs and enhances my application of AI-driven methodologies, allowing for more sophisticated models and predictions in molecular chemistry and materials research.

cjcscha@rit.edu

585-475-6142

Areas of Expertise

Artificial Intelligence

Organic/Bulk Heterojunction Solar Cells

Quantum Mechanics

Molecular Photophysics

Lasers and Spectroscopy

Nanomaterials

Select Scholarship

Invited Article/Publication

Ramos, Mayk Caldas, Christopher J. Collison, and Andrew D. White. "A Review of Large Language Models and Autonomous Agents in Chemistry." arxiv. (2024). Web.

Journal Paper

Wiegand, Tyler J., et al. "Directional Exciton Diffusion, Measured by Subpicosecond Transient Absorption as an Explanation for Squaraine Solar Cell Performance." The Journal of Physical Chemistry C 128. 11 (2024): 4616–4630. Web.

Ramos, Mayk Caldas, Christopher J. Collison, and Andrew D. White. "A review of large language models and autonomous agents in chemistry." Chemical Science 16. 6 (2025): 2514-2572. Print.

Hu, Zhiqi, et al. "An Experimental and Computational Study of Donor–Linker–Acceptor Block Copolymers for Organic Photovoltaics." JOURNAL OF POLYMER SCIENCE, PART B: POLYMER PHYSICS 56. (2018): 1135–1143. Web.

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Published Article

Collison, Christopher J., Susan Spencer, Amber Monfette, Jessica Alexander, and Jason Staub. “Newcandidates for near-infra-red-absorbing active layers in multijunction organic photovoltaics: Characterization and performance”. Proceedings of the Thirty-fifth IEEE Photovoltaic SpecialistsConference, 20-25 June 2010. 1601-1606. Print. " É

Formal Presentation

Collison,Christopher. “Strategies for improved efficiency and sustainability of bulk heterojunction organic photovoltaic devices.” Chemistry Department Seminar. University of Maryland. 15 September 2010. Presentation. "

Collison, Chris, Amber Monfette, Jessica Alexander, JasonStaub, Annick Anctil, Paul Jarosz, Susan Spencer and Harry Hu. “Potential New Candidates for Near-Infra-Red-Absorbing Active Layers in Multijunction Organic Photovoltaics: Characterization and Performance.” MRS National Spring Meeting Organic Photovoltaic Science and Technology symposium. San Francisco, CA. 8 April 2010. Presentation. "

Currently Teaching

CHEM-171

Advanced General Chemistry I

3 Credits

Advanced General Chemistry designed for aspiring chemical professionals. Students will learn the fundamental concepts that support a modern understanding of chemistry. Atomic and molecular structures are presented and investigated using quantum mechanics. The relationship between quantum mechanics, molecular structure, and material properties is emphasized.

CHEM-489

Advanced Special Topics

1 - 3 Credits

This is an advanced course on a topic that is not part of the formal curriculum. This course is structured as an ordinary course and has specific prerequisites, contact hours, and examination procedures.

CHEM-493

Chemistry Research

1 - 3 Credits

This course is a faculty-directed student project or research in chemistry that could be considered of an original nature.

CHEM-495

Advanced Chemistry Research

1 - 3 Credits

This course is a faculty-directed student project or research involving laboratory work, computer modeling, or theoretical calculations that could be considered of an original nature. The level of study is appropriate for students in their final two years of study.

CHEM-790

Research & Thesis

1 - 6 Credits

Dissertation research by the candidate for an appropriate topic as arranged between the candidate and the research advisor.

CHEM-791

Continuation of Thesis

0 Credits

Continuation of Thesis

CHMP-346

Experimental Physical Chemistry II

1 Credits

An advanced experiential course based on the use of experimental data, theory, simple computer programming and computational demonstration to apply and test quantum mechanical models, which explain chemical phenomena. Emphasis is placed on connecting established theories to experimental evidence, and on presenting in a formal technical report.

MTSE-790

Research & Thesis

1 - 9 Credits

Dissertation research by the candidate for an appropriate topic as arranged between the candidate and the research advisor.

MTSE-793

Continuation of Thesis

0 Credits

Continuation of Thesis

In the News

May 13, 2025

RIT showcase offers glimpse of early tech innovation cycle

TechTarget speaks to Paloma Hamilton, fifth-year mechanical engineering student; Geoff Twardokus, electrical and computer engineering Ph.D. student; and Christopher Collison, director of RIT's AI Hub and Initiatives, about the innovative developments featured at Imagine RIT.
April 18, 2025

Imagine RIT will have artificial intelligence around every turn

If festivalgoers have trouble exploring the more than 430 exhibits at this year’s Imagine RIT, they can now enlist the help of AI by using the Imagine RIT Bot—a generative AI chatbot that’s like ChatGPT with a focus on answering questions about the Imagine RIT: Creativity and Innovation Festival.
February 26, 2025

UR, RIT join artificial intelligence consortium

Rochester Beacon talks to Ryne Raffaelle, vice president for Research, and Chris Collison, Jane King Harris Endowed Professor in the School of Chemistry and Materials Science, about how joining will increase the computing power of Empire AI.

More News