Recent & Upcoming Talks

2021

Machine Learning in Chemistry: Now and in the Future

Nov 26, 2021 Virtual

Machine Learning in Chemistry: Now and in the Future

May 25, 2021 Virtual

2019

Multi-Objective, Machine-Learning Assisted First-Principles Design of Transition Metal Complexes for Redox Couples

Nov 11, 2019 Orlando FL, United states

Jon Paul Janet, Heather Kulik

Machine-learning assisted workflows for inorganic molecular discovery

Oct 6, 2019 Telluride Science Research Center CO, United states

Jon Paul Janet, Chenru Duan, Aditya Nandy, Heather Kulik

Hybrid machine-learning and first-principles design for transition metal complexes

May 22, 2019 Bethlehem PA, United states

Jon Paul Janet, Chenru Duan, Aditya Nandy, Heather Kulik

Controlling generalization errors for ML-informed molecular discovery

Mar 31, 2019 Orlando FL, United states

Jon Paul Janet, Heather Kulik

2018

ML for inorganic molecular design: descriptors and similarity in transition metal chemical space

Mar 19, 2018 New Orleans LA, United states

Jon Paul Janet, Heather Kulik

2017

Mapping transition metal chemical space for machine learning models

Nov 17, 2017 Minneapolis MN, United states

Jon Paul Janet, Heather Kulik

Mapping transition metal chemical space with continuous descriptors - feature selection and implications for machine learning models

Aug 3, 2017 Washington D.C., United states

Jon Paul Janet, Terry Z.H. Gani, Heather Kulik

Describing transition metal chemical space for predictive machine learning

Jun 28, 2017 Worcester MA, United states

Jon Paul Janet, Terry Z.H. Gani, Heather Kulik