CANELA - Mpourmpakis Lab
February 2, 2018
Undergraduate student Jonathan Estes, along with Postdoc Mudit Dixit, publishes his first article in the Mpourmpakis Lab "Understanding the Gas Phase Chemistry of Alkanes with First-Principles Calculations" in the Journal of Chemical & Engineering data. Great job Jonathan and Mudit!!
January 26, 2018
Graduate student James Dean, along with PhD candidate Natalie Austin, publishes his first article in the Mpourmpakis Lab "Designing Cu-based Bimetallic Nanoparticles for CO2 Adsorption and Activation" in ChemSusChem. Great work James and Natalie!!
January 18, 2018
PhD candidates Natalie Austin and Pavlo Kostetskyy publish the article "Design of highly selective ethanol dehydration nanocatalysts for ethylene production" in Nanoscale. Excellent job you two!
January 13, 2018
PhD candidate Pavlo Kostetskyy publishes new article "Direct Catalytic Conversion of Biomass-Derived Furan and Ethanol to Ethylbenzene" in ACS Catalysis. Well done Pavlo!
December 22, 2017
Postdoc Mudit Dixit and Peter Tancini (previous undergraduate student in the Mpourmpakis lab, now graduated) publish the article "Mechanistic Studies on the Michael Addition of Amines and Hydrazines To Nitrostyrenes: Nitroalkane Elimination via a Retro-aza-Henry-Type Process" in the Journal of Organic Chemistry. Congrats to you both!
December 16, 2017
Undergraduate student Julia McKay joins the lab. Welcome Julia!
December 15, 2017
PhD candidate Natalie Austin receives the James M. Coull Memorial Fellowship Award for outstanding PhD student in the Chemical and Petroleum Engineering Department at Pitt.
December 12, 2017
Graduate student Michael Cowan joins the lab. Welcome Michael!!
December 1, 2017
PhD student Michael Taylor publishes new article "Reconstructing the Surface of Gold Nanoclusters by Cadmium Doping" in the Journal of the American Chemical Society! Great job Michael!!
November 27, 2017
Postdoc Mudit Dixit's article " Elucidating the Role of Oxygen Coverage in CO2 Reduction on Mo2C" has been selected as hot article for 2017 and featured in the front cover of Catalysis Science and Technology
Congrats again Mudit!
November 7, 2017
Masters student Robin Tan joins our lab. Welcome Robin!
October 9, 2017
Postdoc Mudit Dixit publishes first article in our lab entitled " Elucidating the Role of Oxygen Coverage in CO2 Reduction on Mo2C" in the Catalysis Science and Technology journal. Congrats Mudit!
July 7, 2017
PhD student Michael Taylor publishes new article "Thermodynamic Stability of Ligand-Protected Metal Nanoclusters" in the journal Nature Communications!!! This paper is highlighted in Pitt Engineering!
Good job Michael!
July 5, 2017
PhD student Michael Taylor publishes new article "Site-selective substitution of gold atoms in the Au24(SR)20 nanocluster by silver" in the Journal of Colloid and Interface Science!!! This paper is highlighted in Pitt Engineering!
Good work Michael!
PhD candidate Pavlo Kostetskyy’s paper titled “Computational Insights into Adsorption of C4 Hydrocarbons in Cation-Exchanged ZSM-12 Zeolite” is highlighted as a cover of in the Industrial & Engineering Chemistry Research journal.
Way to go Pavlo!
June 14, 2017
PhD candidate Pavlo Kostetskyy’s publishes a new article "Computational Insights into Adsorption of C4 Hydrocarbons in Cation-Exchanged ZSM-12 Zeolites" in the Industrial & Engineering Chemistry Research journal.
June 5, 2017
Graduate student Xi Peng’s paper titled “Potassium-Promoted Molybdenum Carbide as a Highly Active and Selective Catalyst for CO2 Conversion to CO” is highlighted as a cover of ChemSusChem.
June 1, 2017
Ashley Mascareno joins our lab as a summer REU student from ASU!
May 26, 2017
Graduate student James Dean wins the second poster award in the Pittsburgh-Cleveland Catalysis Society Annual Meeting!
Way to go James!
May 22, 2017
PhD candidate Pavlo Kostetskyy’s and recent graduate Nick Zervoudis’ paper titled “Carboranes: the strongest Brønsted acids in alcohol dehydration” is highlighted as a cover of Catalysis Science and Technology.
Great work guys!
May 19, 2017
PhD candidate Michael Taylor publishes a collaborative paper titled “Molecular “surgery” on a
23-gold-atom nanoparticle” in Science Advances.
Great job Michael!
April 28, 2017
GM gives an invited talk in the South West Catalysis Society Symposium.
PhD candidate Natalie Austin publishes a new paper titled “CO2 activation on Cu-based Zr-decorated nanoparticles” in Catalysis Science and Technology.
April 20, 2017
Graduate student Xi Peng publishes a collaborative paper titled “Potassium-Promoted Molybdenum Carbide as a Highly Active and Selective Catalyst for CO2 Conversion to CO” in ChemSusChem.
Great work Xi!
April 12, 2017
PhD candidate Pavlo Kostetskyy and recent graduate Nick Zervoudis publish a new paper titled “Carboranes: the strongest Brønsted acids in alcohol dehydration” in Catalysis Science and Technology.
Congrats Pavlo and Nick!!
March 10, 2017
GM was awarded the CAREER award by the National Science Foundation (NSF)!! This is NSF’s “most prestigious award in support of early-career faculty who have the potential to serve as academic role models in research and education and to lead advances in the mission of their department or organization”.
March 3, 2017
PhD candidate Michael Taylor received the Advancing Research Through Computing (ARC) 2017 Conference Best Poster award which came with a $500 travel stipend. Great Job Michael!!
February 28, 2017
PhD candidate Natalie Austin was awarded to participate in the 67th Nobel Laureate Meeting (focus on Chemistry) which will be held in Lindau Germany in June 2017. Congratulations Natalie!!
Lindau Nobel Laureate website and Pitt Press Release
February 23, 2017
PhD candidate Pavlo Kostetskyy was selected to be one of two Graduate Student Directors for the Executive Committee of AIChE Catalysis and Reaction Engineering Division. Congratulations Pavlo!!
January 23, 2017
Mitch Cholewinski and Jonathan Estes join our lab as undergraduate researchers! Welcome guys!!
January 3, 2017
Mudit Dixit joins our lab as our very first Post Doc. Welcome Mudit!!
December 9, 2016
GM was awarded the 2016 James Pommersheim Award for Excellence in Teaching in Chemical Engineering by the University of Pittsburgh!! GM is the first Assistant Professor to receive this award!
December 7, 2016
James Dean joins our lab as a PhD student and Zihao Yan joins our lab as a Masters student. Welcome guys!
November 14, 2016
Peter Tancini received 1st place in “Computing and Process Control II” and 1st place in the “Computing and Simulation Technology Division” for his undergraduate poster presentation at the AIChE 2016 National Meeting in San Francisco. Great work Peter!
October 25, 2016
Peter Tancini received the Pitt ΩΧΕ Departmental Research Day 2nd prize undergraduate poster award and Natalie Austin received the Pitt ΩΧΕ Departmental Research Day 1st prize Graduate Poster Award. Congratulations you two!
September 29, 2016
PhD candidate Natalie Austin received the Women of Color STEM Conference Student Leadership Academic Award. Great job Natalie!!
PhD Candidate Natalie Austin and undergraduate researcher Brandon Butina publish a new paper titled "CO2 Activation on Bimetallic CuNi Nanoparticles" in an invited article Themed Issue on Nanomaterials in the Progress in Natural Science: Materials International Journal.
Congratulations Natalie and Brandon!!
September 7, 2016
PhD candidate Pavlo Kostetskyy received the AIChE Division of Catalysis and Reaction Engineering Student Travel Award for the AIChE 2016 National Meeting in San Francisco. Congratulations Pavlo!!
August 8, 2016
PhD Candidate Michael Taylor publishes a new paper titled "Molecular modifiers reveal a mechanism of pathological crystal growth inhibition" in the journal Nature!!! This paper was highlighted in Pitt Engineering News and U.S. News!!
August 4, 2016
PhD Candidate Pavlo Kostetskyy publishes a new paper titled "From Biomass-Derived Furans to Aromatics with Ethanol over Zeolite" in the journal Angewandte Chemie International Edition. This paper is featured in the journal cover of issue 42.
Good job Pavlo!
July 28, 2016
GM and co-investigators Professor Gotz Veser from University of Pittsburgh and Assistant Professor Chrysanthos Gounaris from Carnegie Mellon University, were awarded a 3-year $550,000 grant from the National Science Foundation (NSF) for "Collaborative Research: Design of Optimal Bimetallic Nanoparticles"!
Pitt Engineering News-NSF Grant 2016
June 20, 2016
GM receives a $110,000 Petroleum Research Fund Doctoral New Investigator (DNI) grant from the American Chemical Society (ACS) for computational modeling research!
April 8, 2016
Undergraduate researcher Peter Tancini receives the Swanson School of Engineering (SSOE) Summer Internship Award to go to Italy and work on a computational project with Professor Matteo Maestri. Congratulations Peter!!
March 29, 2016
PhD Candidate Michael Taylor receives the prestigious NSF Fellowship! Congratulations Michael!!
January 6, 2016
Macy Divens joins our lab as an undergraduate researcher! Welcome Macy!
December 16, 2015
Work from our phenomenal undergraduate students Peter Tancini (class 2017) and Bob Shobayo (REU student from UMBC in summer 2014) is published in JACS, in collaboration with the lab of Prof. Jill Millstone (Chemistry, Pitt)!! Congratulations Peter and Bob!!
December 9, 2015
Xi Peng joins our lab as a PhD student! Welcome Xi!
November 20, 2015
GM is elected from the Pittsburgh Business Times in “Who’s Who in Energy”.
November 15, 2015
Our group participates in the AIChE 2015 National Meeting in Salt Lake City with great success!
Undergraduate student Peter Tancini gives a poster presentation on " Formation Pathways of Pre-Nucleation Species in AuCu Bimetallic Nanoparticle Growth: A First Principles Study" and receives the 3rd poster award!!
Michael Taylor gives an oral presentation on "Kidney Stone Growth Modification: Insights from First Principles Calculations", and
GM on "Generalized Dehydration Trends: Connecting Brønsted- with Lewis- Acid Catalysis".
November 5, 2015
Our work on Sub-Nanoscale Au Catalysis was shortlisted for the Global IChemE Awards. Check out our video:
PhD Candidate Pavlo Kostetskyy receives the Fall Term 2014 Outstanding PhD Paper Award!!
September 18, 2015
Michael Taylor and Natalie Austin publish their work titled "Catalyst Design Based on Morphology- and Environment-Dependent Adsorption on Metal Nanoparticles" as a letter in ACS Catalysis! Kudos to Michael and Natalie!
August 24, 2015
John Hoover joins our lab as an undergraduate researcher.
August 13, 2015
Our paper titled "Au13: CO Adsorbs, Nanoparticle Responds" is featured in the cover of issue 32 of the Journal of Physical Chemistry C!! Congratulations to Natalie Austin and Prof. J. Karl Johnson for this nice work!
The Swanson School of Engineering made a press release about our discovery!!
July 15, 2015
Pavlo Kostetskyy publishes a new paper titled "Structure-activity relationships in the production of olefins from alcohols and ethers: A first-principles theoretical study " in the Catalysis Science and Technology journal.
Great job Pavlo!
July 1, 2015
Natalie Austin publishes her paper titled "Au13: CO Adsorbs, Nanoparticle Responds" in the journal of Physical Chemistry C. This is a collaborative between our group and Prof. J. Karl Johnson at Pitt.
June 19, 2015
Pavlo Kostetskyy and Jyoti Prakash Maheswari (visiting researcher from NIT, Warangal, India) publish a paper in the journal of Physical Chemistry C "Understanding the Importance of Carbenium Ions in the Conversion of Biomass-Derived Alcohols with First-Principles Calculations".
June 14-19, 2015
Our group participates in the NAM24 meeting! Natalie Austin contributes an oral presentation titled "Adsorbate interactions with metal Nanoparticles" and Pavlo Kostetskyy a poster presentation titled "Structure-Activity Relationships in Alcohol Dehydration on Metal-Oxides". GM serves as a poster chair of the conference (total of 600 poster presentations) with Elise Fox and Xingyi Deng.
May 11, 2015
Carly Nolan, Brandon Butina and Dania Furuqui join our lab as undergraduate researchers! Welcome guys!
April 30, 2015
PhD Candidate Natalie Austin received the prestigious NSF Fellowship and graduate student Michael Taylor received an honorable mention. Well done guys!!!!
March 31, 2015
PhD Candidate Natalie Austin won the Fall Term 2014 Outstanding PhD Paper!!
January 8, 2015
Work from our lab is on the news!!! Check "People on the move" column on Sunday's Post-Gazette:
and the blog of Prof. Geoff Maitland, President of the Chemical Engineering society in UK:
January 7, 2015
Nicholas Zervoudis, Peter Tancini and Isadora Carnaval join our lab as undergraduate researchers! Welcome guys!
December 9, 2014
Michael Taylor joins our lab as a PhD student! Welcome Michael!
December 8, 2014
Our recent publication "Catalysis at the Sub-Nanoscale: Complex CO Oxidation Chemistry on a Few Au Atoms" is featured on the cover of issue 1 of the Catalysis Science and Technology journal and has been selected as a "hot article"!!The manuscript appears online here.
November 27, 2014
Our group in collaboration with researchers from the University College London (UK) and the University of Delaware publishes the article "Catalysis at the Sub-Nanoscale: Complex CO Oxidation Chemistry on a Few Au Atoms" by Nikbin N., Austin N., Vlachos D.G., Stamatakis M., Mpourmpakis G. in the Catalysis Science and Technology! This manuscript will be featured as a cover of issue 1 of the journal (year 2015)!!
November 21, 2014
Our group was represented in the AIChE 2014 conference (Atlanta GA, Nov 16-21, 2014) by the following contributions:
Talk: “Adsorption on Metal Nanoparticles: Size and Shape Matters” (Presenter: Natalie Austin)
Talk: “Structure-Activity Relationships for the Conversion of Biomass Derived Alcohols to Chemicals” (presenter: Pavlo Kostetskyy)
Poster: "Understanding the Early Stages of Metal Nanoparticle Growth Using Density Functional Theory Calculations” (Presenter: Olabobola Shobayo (UMBC))
Session Chair: Computational Catalysis IV (Chair: Giannis Mpourmpakis)
Congratulations to all of you for the very nice presentations!
October 6, 2014
The Catalysis Science & Technology journal features our recent publication “Structure-Activity Relationships onMetal-Oxides: Alcohol Dehydration” on its cover!
July 22 2014
Natalie just published her first first-author publication in the Journal of Physical Chemistry C entitled "Understanding the Stability, Electronic, and Adsorption Properties of Sub-nanometer Group XI Monometallic and Bimetallic Catalysts"!!The just-accepted manuscript can be found online at: http://pubs.acs.org/doi/abs/10.1021/jp504015a
July 2, 2014
The Office of Research and the Research Council of the University of Pittsburgh funded our small grant application (Central Research Development Funds) to investigate novel methane conversion pathways! (Budget: $16,000)
June 11, 2014
Pavlo Kostetskyy publishes his first first-author publication!!The manuscript entitled “Structure-Activity Relationships on Metal-Oxides: Alcohol Dehydration” is published in the Catalysis Science & Technology Journal:
This is a collaborative work between our lab and Ray Gorte’s lab at UPenn.
June 2, 2014
GM gives an invited talk at the annual Pittsburgh-Cleveland Catalysis Society Meeting.
June 2, 2014
Natalie Austin won the first place in the poster competition at the annual Pittsburgh-Cleveland Catalysis Society Meeting, which was held at Carnegie Mellon University on June 2, 2014!! Natalie's poster was entitled: "Catalyst Design at the Sub-Nanoscale".
June 1, 2014
Tybur Casuse and Olabobola (Bob) Shobayo join our lab for the summer 2014! Tybur and Bob participate in the Particle-based Functional Materials Research Experience for Undergraduates program that is led by Prof. Joe McCarthy. Welcome guys!
May 9, 2014
Jyoti Prakash Maheswari joins our group for summer research! Jyoti is visiting our group from the Department of Chemical Engineering, at the National Institute of Technology, Warangal, India. Jyoti was awarded an undergaduate scholarship to perform a two month research project in our group! Welcome Jyoti! We are very happy to have you at Pitt!
April 22, 2014
Natalie Austin has been selected to participate in the "Graduate Summer School: Electronic Structure Theory for Materials and (Bio)molecules", which will be held at UCLA from July 21 to August 1, 2014. Natalie, who successfully passed the selection procedure, will be fully sponsored to attend the event.Congratulations Natalie!
April 18, 2014
GM gives an invited seminar in the Department of Materials Science and Engineering at the University of Michigan.
March 15, 2014
GM publishes a collaborative article in the Journal of Chemical Physics:Informatics Guided Discovery of Surface Structure-Chemistry Relationships in Catalytic Nanoparticles Andriotis A.N., Mpourmpakis G., Broderick S., Rajan K., Datta S., Sunkara M., and Menon M. J. Chem. Phys. 140, 094705 (2014)January 31, 2014Prof. Matteo Maestri from the Politecnico di Milano, Italy, visited our group. Prof. Maestri gave a seminar in our Department and a computational workshop on microkinetic modeling in our group!!
January 31, 2014
Prof. Matteo Maestri from the Politecnico di Milano, Italy, visited our group. Prof. Maestri gave a seminar in our Department and a computational workshop on microkinetic modeling in our group!!
December 16, 2013
Natalie Austin and Pavlo Kostetsky are the first graduate students to join our lab!! Welcome!!