Entries by Elijah Shore
Sabari Presents Research Seminar
Sabari Kumar recently presented a research seminar Emergent-Scale Prediction of Molecular Properties with Chemically-Informed Neural Networks at Colorado State University. Sabari discussed his work in molecular representation and chemically-informed machine learning. Congrats Sabari! Abstract: Machine learning (ML) models have emerged as powerful tools for scientific discovery. Leveraging modern computing hardware allows for the generation of […]
Group Publishes Work on S0-T1 Fragmentation
We’re thrilled to announce that our recent work “A Fragment Based Approach Towards Curating, Comparing and Developing Machine Learning Models Applied in Photochemistry.” was accepted into Chemical Science! In this work, we developed a novel fragmentation scheme to aid in the prediction of adiabatic singlet-triplet energy gaps. Abstract: The development of Graph Neural Networks for predicting molecular […]
Chris Presents Research Seminar
Chris Stubbs recently presented a research seminar “Advancing Solubility Prediction Through Machine Learning” at Colorado State University. Chris discusses work from two recent papers from the group “Predicting homopolymer and copolymer solubility through machine learning” and Enhancing Predictive Models for Solubility in Multicomponent Solvent Systems using Semi-Supervised Graph Neural Networks. Congrats Chris! Abstract: Solubility is a […]
