CompuCatLSU's profile picture. Associate professor of chemical engineering. Understanding catalysis and catalysts through theory, modeling, and computation.

Ye Xu

@CompuCatLSU

Associate professor of chemical engineering. Understanding catalysis and catalysts through theory, modeling, and computation.

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We're delighted to be on Prof. Kunlun Ding's ACIE paper showing that partially graphitized C, not interstitial C, allows C2H2 to be hydrogenated selectively to C2H4. DFT results support the hypothesis that C2H4 is "squeezed out" due to confinement effects. onlinelibrary.wiley.com/doi/10.1002/an…


Considering graduate studies in chemical engineering? Have a look at this unique opportunity at LSU: etap.nsf.gov/award/8254/opp…

CompuCatLSU's tweet image. Considering graduate studies in chemical engineering? Have a look at this unique opportunity at LSU:
etap.nsf.gov/award/8254/opp…

If you do DFT calculations involving metal adsorbed on ceria, please give this method a try: doi.org/10.1063/5.0279…


Recent outing over the Atchafalaya Swamp, by McGee's Tours. All members made back safely😃

CompuCatLSU's tweet image. Recent outing over the Atchafalaya Swamp, by McGee's Tours.  All members made back safely😃

Our paper co-authored with Prof. J. Zhou from University of Wyoming was selected for a Supplementary Cover. Congratulations to Saeedur Rahman and Nishan Paudyal! pubs.acs.org/doi/10.1021/ac…


Andrew Okafor's first paper on hydrogen adsorption on disordered Pt–Fe and Pt–Co alloys: pubs.acs.org/doi/10.1021/ac…


Academic publishers and self-citations: Elsevier is a distant 3rd after MDPI and Frontiers, but it leads the pack of the rest of the well-known publishers🤔 osf.io/preprints/soca… via @OSFramework


Court overturns conviction of chemist Feng Tao cen.acs.org/research-integ… via @cenmag


A belated welcome to Nusrat Rifat and Ahmad Arshadi to our group!

CompuCatLSU's tweet image. A belated welcome to Nusrat Rifat and Ahmad Arshadi to our group!

An updated look at TM dopants on oxidation catalysis on ceria - we propose that depending on the reaction, dopants may or may not have a promoting effect. By Saeedur Rahman et al., J. Catal. authors.elsevier.com/a/1iKkO4-S8fkIs


The Cain Department of Chemical Engineering at LSU invites qualified and enthusiastic candidates to apply for two tenure-track positions in carbon capture and hydrogen technologies. Visit our web site to begin: lsu.edu/eng/che/


A great pleasure of having Prof. John Kitchin giving a seminar at LSU ChE sharing insights into applying advanced computational algorithms to catalysis research. Congratulations to John on winning the AIChE Award for Innovation in Chemical Engineering Education. Well-deserved!

CompuCatLSU's tweet image. A great pleasure of having Prof. John Kitchin giving a seminar at LSU ChE sharing insights into applying advanced computational algorithms to catalysis research. Congratulations to John on winning the AIChE Award for Innovation in Chemical Engineering Education. Well-deserved!

Harvard Fake Data Scandal youtu.be/d2Tm3Yx4HWI via @YouTube


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