Also see my Google Scholar page.
ML-SAFT: A machine learning framework for PCP-SAFT parameter prediction
K. Felton, L. Rasßpe-Lange, J. Rittig ,K. Leonhard , A. Mitsos , J. Meyer-Kirschner, C. Knösche , A. Lapkin, Chemical Engineering Journal, 2024.
Paper | Preprint | Code
Multi-objective Bayesian optimisation using q-noisy expected hypervolume improvement (q NEHVI) for the Schotten–Baumann reaction
J. Zhang, N. Sugisawa, K. Felton, S. Fuse, A. Lapkin, 2024
Paper | Code
A Brief Introduction to Chemical Reaction Optimization
C.J. Taylor, A. Pomberger, K.C. Felton, R. Grainger, M. Barecka, T.W. Chamberlain, R.A. Bourne, C.N, Johnson, A.A. Lapkin, Chemical Reviews, 2023.
Paper
Accelerated Chemical Reaction Optimization using Multi-Task Learning
C. Taylor*, K. Felton*, D. Wigh, M. Jeraal, R. Grainger, G. Chessari, C. Johnson, A. Lapkin, 2023
* Joint first authors
Paper | Preprint | Software
First Reactions opinion piece
DeepGamma: A deep learning model for activity coefficient prediction
K. Felton, H. Ben Safar, A.A. Lapkin, AAAI AI2ASE Workshop, 2022.
Paper
Optimization of Formulations Using Robotic Experiments Driven by Machine Learning DoE
L. Cao, D. Russo, K. Felton, D. Salley, A. Sharma, G. Keenan, W. Mauer, H. Gao, L. Cronin. A.A. Lapkin, Cell Physical Reports, 2021.
Code
Multi-task Bayesian Optimization of Chemical Reactions
K. Felton, D. Wigh, A. Lapkin, NIPS ML4Molecules Workshop, 2020 (accepted).
Preprint | Software
Summit: Benchmarking Machine Learning for Reaction Optimisation
K. Felton*, J. Rittig*, A. Lapkin. Chemistry Methods, 2021.
* Joint first authors
Publication | Preprint | Software
A Modular Microfluidic Technology for Systematic Studies of Colloidal Semiconductor Nanocrystals
R. W. Epps, K. C. Felton, C. W. Coley, and M. Abolhasani. Journal of Visualized Experiments, 2018, e57666.
Automated Microfluidic Platform for Systematic Studies of Colloidal Perovskite Nanocrystals: Towards Continuous Nano-Manufacturing
R. W. Epps, K. C. Felton, C. W. Coley, and M. Abolhasani. Lab on a Chip, 2017, 17 (23), 4040-4047.
Cover | Video | Press
Github
