Emilio Martinez-Nunez
@emiliomart.bsky.social
Professor of Physical Chemistry
Computational and Theoretical Chemist
https://github.com/emartineznunez/AutoMeKin
Computational and Theoretical Chemist
https://github.com/emartineznunez/AutoMeKin
From automatic mechanism discovery to kinetic Monte Carlo: a semi-automated deep dive into how BPA degrades under Fenton-type conditions.
Proud to share our new work in Chemical Engineering Journal!
🔗https://doi.org/10.1016/j.cej.2025.169248
Proud to share our new work in Chemical Engineering Journal!
🔗https://doi.org/10.1016/j.cej.2025.169248
November 11, 2025 at 5:11 PM
From automatic mechanism discovery to kinetic Monte Carlo: a semi-automated deep dive into how BPA degrades under Fenton-type conditions.
Proud to share our new work in Chemical Engineering Journal!
🔗https://doi.org/10.1016/j.cej.2025.169248
Proud to share our new work in Chemical Engineering Journal!
🔗https://doi.org/10.1016/j.cej.2025.169248