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 https://www.acs.org/content/acs/en/funding-and-awards/awards/national.html.
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.
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.
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.
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.
Published on chem.umn.edu.
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.
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.
Published on chem.umn.edu.
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.
Published on DISCOVER.umn.edu.
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.
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.