Do you like computer assisted reaction design or machine learning? Well then check out our latest paper in JCIM! From a large effort by our former post doc Eric Walker and current students Josh and Michael.

Learning To Predict Reaction Conditions: Relationships between Solvent, #Molecular Structure, and #Catalyst pubs.acs.org/doi/10.1021/ac… Zimmerman Group #Current_issue #Chemical_information

Congratulations to Caitlin Horvatits, Jungkuk Lee and our collaborator #EricAWa39663155 on our paper detailing the characterization of adsorption sites on Ag/SSZ-13 zeolites: experimental observations and bayesian inference! pubs.acs.org/doi/10.1021/ac…

CheKiPEUQ Intro 1: Bayesian Parameter Estimation Considering Uncertainty or Error from both Experiments and Theory …mistry-europe.onlinelibrary.wiley.com/doi/10.1002/cc…

CheKiPEUQ Intro 2: Harnessing Uncertainties from Data Sets, Bayesian Design of Experiments in Chemical Kinetics …mistry-europe.onlinelibrary.wiley.com/doi/abs/10.100…

CheKiPEUQ Intro 2: Harnessing Uncertainties from Data Sets, Bayesian Design of Experiments in Chemical Kinetics from Eric A Walker onlinelibrary.wiley.com/doi/10.1002/cc…

Check out our recent paper entitled "Non-catalytic gas phase NO oxidation in the presence of decane" published in Fuel. Congrats to Chih-Han Liu, Kevin Giewont and Caitlin Horvatits! Research funded by U.T. Battelle. sciencedirect.com/science/articl…

After a lot of effort, my group's first research into the area of quantum computing is published: pubs.acs.org/doi/10.1021/ac…. #quantumcomputing #catalysis

In continuing collaboration with Prof. Kyriakidou Kyriakidou’s Catalysis Research Group in environmental catalysis, congratulations to our recent graduate, Kevin Giewont, M.S., for this theoretical work on zeolites! pubs.acs.org/doi/full/10.10…

Excited to share Junjie Chen 陈俊杰's new publication on using experiments and theory for elucidating the CH4 combustion mechanism over Ni/CeO2 catalysts published in ACS Catalysis! Congrats Junjie Chen 陈俊杰! pubs.acs.org/doi/10.1021/ac…

Congratulations to my students on this publication! Also, we are happy to be collaborating with Bert Debusschere of Sandia National Laboratories. pubs.acs.org/doi/full/10.10…

Congratulations to Junjie Chen 陈俊杰, Kevin Giewont, Jungkuk Lee, Eric A Walker, Yubiao Niu on out paper discussing cobalt induced PdO formation in low-loading Pd/BEA catalysts for CH4 oxidation being accepted in ACS Catalysis! Congrats Junjie Chen 陈俊杰! pubs.acs.org/doi/full/10.10…

The code and calculation data for this work, primarily created by Kevin Giewont, are located here: bitbucket.org/ericawalk/pdco… .

Here is my perspective on the new research area of Bayesian Statistics in Chemical Catalysis. authors.elsevier.com/a/1e~vp7spEiaM…

In our recently accepted manuscript, an accurate quantum algorithm solves a hydrogen combustion model. Congratulations to Alejandro (Alex)! pubs.rsc.org/en/content/art…

Congratulations to Jesse Canavan, our recent lab alumni. He made a lot of technical advancements to put together this publication, especially in the transition state searches. The result is timely research we are all very proud of. pubs.acs.org/doi/full/10.10…

Two of my recent publications are technological advances for the manufacture of the lightweight ceramic material silicon carbide. mdpi.com/2674-0389/2/4/… ceramics.onlinelibrary.wiley.com/doi/abs/10.111… . .

In order to manage uncertainty in the mechanical properties of ceramics in a manufacturing environment, Bayesian statistics provides a strong approach. ojs.wiserpub.com/index.php/MP/a…

Our (James Chen and Mengyuan (Jason) Sun) recent featured research is a technical advancement in the modeling of thermal protection systems for extreme temperature environments. dsiac.org/journals/volum…