activity
20202025
most citedData Driven Reaction Mechanism Estimation via Transient Kinetics and Machine Learning

2 citations · 3 across the 5 of their papers we have counts for

collaborators

5 papers

stat.AP2025

Statistical Distributions for Transient Transport

M. Ross Kunz, Debtanu Maiti, Gregory Yablonsky +1

This paper introduces the use of statistical distributions based on transport differential equations for clear distinction of transport modes within transient kinetic experiments.…

cs.LG2021★ 1 cited

A Priori Calibration of Transient Kinetics Data via Machine Learning

M. Ross Kunz, Adam Yonge, Rakesh Batchu +5

The temporal analysis of products reactor provides a vast amount of transient kinetic information that may be used to describe a variety of chemical features including the residenc…

stat.AP2020★ 2 cited

Data Driven Reaction Mechanism Estimation via Transient Kinetics and Machine Learning

M. Ross Kunz, Adam Yonge, Zongtang Fang +4

Understanding the set of elementary steps and kinetics in each reaction is extremely valuable to make informed decisions about creating the next generation of catalytic materials.…

cs.CE2020

TAPsolver: A Python package for the simulation and analysis of TAP reactor experiments

Adam Yonge, M. Ross Kunz, Rakesh Batchu +4

An open-source, Python-based Temporal Analysis of Products (TAP) reactor simulation and processing program is introduced. TAPsolver utilizes algorithmic differentiation for the cal…

physics.chem-ph2020

Kinetic Expression for Optimal Catalyst Electronic Configuration: The Case of Ammonia Decomposition

Nigora Turaeva, Rebecca Fushimi, Gregory Yablonsky

A new steady-state kinetic model of ammonia decomposition is presented and analyzed regarding the electronic properties of metal catalysts. The model is based on the classical Temk…