Joachim Sauer

December, 2018 | Advisory Board Member Joachim Sauer wins the 2019 Schrödinger Medal

Advisory Board Member Joachim Sauer was awarded the 2019 Schrödinger Medal for his outstanding contributions to the quantum chemistry of solid materials and their successful application to heterogeneous catalysis. The World Association of Theoretical and Computational Chemists (WATOC) aims to promote the field of theoretical and computational chemistry and to advance the interactions between scientists working in this field worldwide. The WATOC Schrödinger medal is awarded each year to one outstanding theoretical and computational chemist.

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HCR Badge

November 27, 2018 | Professors Included in Highly Cited Researcher List

Christopher Cramer, Donald Truhlar, Omar Farha, Joseph Hupp, Jeff Long and Randy Snurr have been included in the Clarivate Analytics Highly Cited Researcher List. The list 'recognizes world-class researchers selected for their exceptional research performance, demonstrated by production of multiple highly cited papers that rank in the top 1% by citations for field and year in Web of Science.'

view the list here

ACS Logo

September 17, 2018 | Professors Long and Truhlar Receive 2019 ACS Awards

UC Berkeley Professor Jeffrey R. Long has received the F. Albert Cotton Award in Synthetic Inorganic Chemistry.

UMN Regents Professor Donald Truhlar has received the 2019 American Chemical Society Award in Theoretical Chemistry. Regents Professor Donald Truhlar has received the 2019 American Chemical Society Award in Theoretical Chemistry. He is being honored for his creative contributions to theoretical chemistry, and developing new density functionals for practical calculations of thermochemistry, thermochemical kinetics, and noncovalent interactions.

Read more about the award at

Gordon Research Conferences

August 8, 2018 | NMGC Well Represented at Gordon Research Conferences

Five Nanoporous Materials Genome Center senior investigators gave plenary talks in 2018:

  • Donald Truhlar, "Density Functional Theory for Catalysis: New Methods and Applications"
  • Omar Farha, "Functional Metal-Organic Framework Materials"
  • Smaranda Marinescu, "Electrocatalytic Cobalt Dithiolene Metal-Organic Frameworks for H2 Evolution and Related Mechanistic Studies"
  • Alán Aspuru-Guzik, "(R)evolution: Six Challenges for Theoretical Chemistry at the Interface with Computer Science for the Twenty-First Century"
  • Ilja Siepmann, "Predictive Hierarchical Modeling of Chemical Separations and Reaction Equilibria in Nanoporous Materials"

In addition, Jeffrey Long and Smaranda Marinescu served as discussion leaders.

August 7, 2018 | NMGC Research on Ethanol Purification Leads to Patent

A patent entitled "Zeolites for separation of ethanol and water" was granted to Ilja Siepmann, Peng Bai, and Michael Tsapatsis. A high-throughput computational screening study led to the discovery of zeolites for adsorption or membrane based separation processes.

Ilja Siepmann

June 26, 2018 | Professor Siepmann Receives 2018 ASME Touloukian Award

The 2018 American Society of Mechanical Engineers (ASME) Yeram S. Touloukian Award was presented at the triennial Symposium on Thermophysical Properties to Ilja Siepmann for distinguished contributions to predictive modeling of complex fluids including their thermophysical and structural properties and their phase and sorption equilibria; and for pioneering developments of efficient Monte Carlo algorithms and accurate transferable force fields.

Laura Gagliardi

September 14, 2017 | Professor Gagliardi Elected to WATOC Board

The World Association of Theoretical and Computational Chemists (WATOC) aims to promote the field of theoretical and computational chemisty and to advance interactions between scientists working in those fields worldwide.

Published on A full list of board members is visible at

Evgenii Fetisov

August 28, 2017 | Evgenii Fetisov Wins Chemical Computing Group Excellence Award

Evgenii Fetisov received the Chemical Computing Group Excellence Award for Graduate Students for his research on first principles Monte Carlo simulations of reactive phase and sorption equilibria.
The award was presented by the American Chemical Society (ACS) Computers in Chemistry Division at the ACS National Meeting in Washington, D.C.

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Mansi Shah

November 14, 2016 | Mansi Shah recieves the Separations Division Graduate Student Research Award

Recognizes outstanding graduate students in the areas of Distillation and Absorption, Crystallization and Evaporation, Extraction, Membrane-Based Separations, Adsorption and Ion Exchange, Fluid-Particle Separations, Bioseparations.

Award presented at the AIChE Annual Meeting.


September 22, 2016 | Take the Best, Leave the Rest - Fundamental researchers offer new ways to sort molecules for clean energy and more.

NMGC researchers  performed millions of virtual experiments to screen 402 zeolites and find a promising ethanol-preferring, water-rejecting structure. The team also used this approach to sort through 386 variations to find the 16 best all-silica zeolites for removing hydrogen sulfide from natural gas reserves.

News highlight on Department of Energy, Office of Science webpage
Related articles published in:
Nature Communications 6, Article number: 5912 and Angew. Chem. Int. Ed. 20168, 1190 (2015)

Pragya Verma

April 4, 2016 | Pragya Verma receives Richard Amelar & Arthur Lodge Fellowship

NMGC Researcher Pragya Verma has been awarded the Richard D. Amelar and Arthur S. Lodge Fellowship for Outstanding Collaborative Research in Materials.

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Michael Tsapatsis

February 6, 2015 | U of MN Professor Michael Tsapatsis Elected to National Academy of Engineering

Professor Michael Tsapatsis has been elected to the National Academy of Engineering (NAE) for design and synthesis of specialized nanomaterials, called zeolites, that are used for selective separation and reaction. His research group’s accomplishments include development of unique molecular sieves and membranes that are used to increase efficiencies in the chemical and petroleum processing industries.

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Ethanol plant

January 26, 2015 | Researchers Identify Materials to Improve Biofuel and Petroleum Processing

Using one of the largest supercomputers in the world, a team of researchers led by the University of Minnesota has identified potential materials that could improve the production of ethanol and petroleum products. The discovery could lead to major efficiencies and cost savings in these industries.

Published on
Related article published on
Original study published in Nature Communications.

Gagliardi and Truhlar

June 27, 2014 | Chemists Turn Key to New Energy Future

University of Minnesota chemists explain new reaction, demonstrating how quantum mechanics can help design more energy-efficient catalysts. U chemistry professors Laura Gagliardi and Don Truhlar, along with U graduate students and colleagues at UC Berkeley, took up this challenge by starting with the simpler but closely related problem of how to convert ethane—a two-carbon molecule—into ethanol at room temperature and pressure. In short, Berkeley built a catalyst and the U researchers used advanced computations to explain how it worked.

Published on
Original study published in Nature Chemistry.