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JCED Cover

Collaborative CoRE MOF Development Featured

February, 2021 | Collaborative work leading to the development of the Computation Ready Experimental Metal–Organic Framework (CoRE MOF) database by researchers from Pusan National University, University of Minnesota, Northwestern University, IMDEA Materials Institute Madrid, University of Tennessee, Knoxville, Georgia Institute of Technology, University of Nottingham, and University College London supported through the DOE Nanoporous Materials Genome Center is featured on the February 2021 cover of the Journal of Chemical & Engineering Data.

Laura Gagliardi

Laura Gagliardi named Associate Editor of JACS

November 17, 2020 | Beginning January 2021, Laura Gagliardi will serve as Associate Editor of the Journal of the American Chemical Society (JACS). The new JACS editorial team “aims to be more diverse and representative of the chemistry community” with new appointments in previously underrepresented topical areas.

Dylan Anstine

Dylan Anstine receives AIChE award

November 17, 2020 | Graduate student Dylan Anstine (Colina Group, University of Florida) has received an award for Excellence in Graduate Student Research (Area 08A) from the American Institute of Chemical Engineers (AIChE). The award recognizes graduate students who demonstrate excellence in chemical engineering research in polymer science and engineering. Students are nominated by their research advisors and selected by a committee.

J. I. Siepmann

Siepmann named editor-in-chief of Journal of Chemical & Engineering Data

September 17, 2020 | The Publications Division of the American Chemical Society (ACS) has named Ilja Siepmann editor-in-chief of the Journal of Chemical & Engineering Data.

Colina Award

Coray Colina Receives Prestigious Fulbright Award

August 19, 2020 | Dr. Coray Colina of the University of Florida has received Fulbright U.S. Scholar Program award to Mexico. The Fulbright Program is the flagship international educational exchange program sponsored by the U.S. government and is designed to forge lasting connections between the people of the United States and the people of other countries. As a Fulbright Scholar alumna, Colina's career will be enriched as she joins a network of thousands of esteemed scholars, many of whom are leaders in their fields.

Vitillo Poster

Jenny Vitillo Receives Poster Competition Award

July 24, 2020 | Jenny Vitillo received a poster competition award for her poster “H-bonds and redox reactions make Co2(OH)2BBTA the first extended framework with a negative cooperativity behavior for O2” at the Porous Materials Group Poster Conference organized on Twitter by the Royal Society of Chemistry (July 23-24, 2020). The research presented in the poster is the result of a collaboration between the groups of Jeff Long and Laura Gagliardi.

Metal-organic frameworks, MOFs, can mimic biological systems in the way they interact with molecular oxygen. Drawing inspiration from biological O2 carriers, hydroxo species have been introduced in the Co2(OH)2(BBTA) MOF to stabilize cobalt(III)-superoxo species by hydrogen bonding. Jenny Vitillo, Ph.D., at the time of the research a post-doctoral associate in the Professor Laura Gagliardi's group and now an assistant professor at the University of Insubria, Italy, used the periodic density functional calculations showed in the poster to identify the hydroxo species as the main responsible of the negative cooperativity of this material for O2, that is the weakening of O2-binding as a function of loading. This property is typical of enzymes, but had never been observed in extended framework materials before this study. The introduction of negative cooperativity in MOFs and the understanding of its underlying mechanism will benefit all the O2 applicative uses, from catalysis to gas separation.

This NMGC funded work has been published in Nature Communications volume 11, Article number: 3087 (2020).

Farha Award

Omar Farha elected as a Foreign Fellow to the European Academy of Sciences

May 28, 2020 | Dr. Farha has been elected to the European Academy of Sciences (EurASc). EurASc “rewards excellence in science and technology by electing to its Fellowship” and is a fully independent international association of distinguished scholars that aims to recognize and elect to its membership the best European scientists with a vision for Europe as a whole, transcending national borders, and with the aims of strengthening European science and scientific cooperation.

Laura Gagliardi

Laura Gagliardi elected Fellow of the American Academy of Arts and Sciences

April 23, 2020 | McKnight Presidential Endowed Chair Laura Gagliardi has been elected a Fellow of the American Academy of Arts and Sciences (AAAS). The Academy honors people making preeminent contributions to their fields and the world. Members are leaders in the academic disciplines, the arts, business, and public affairs. An induction ceremony is planned for October.

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NMGC paper awarded IChemE Senior Moulton Medal

February 18, 2020 | Each year the Institution of Chemical Engineers (IChemE) recognizes excellent research and significant contributions in the field of chemical and biochemical engineering from around the world. An NMGC paper “Energy-Based Descriptors to Rapidly Predict Hydrogen Storage in Metal–Organic Frameworks” has been awarded the Senior Moulton Medal for most meritorious paper published by the Institution in 2019-2020. Congratulations to authors Benjamin J. Bucior, N. Scott Bobbitt, Timur Islamoglu, Subhadip Goswami, Arun Gopalan, Omar K. Farha, Neda Bagheri, Randall Q. Snurr, and Taner Yildirim.

Omar K. Farha

Omar Farha awarded the 2019 Kuwait Prize for Applied Sciences

February 4, 2020 | Introduced in 1979, the Kuwait Prize recognizes the lifetime achievements of scientists of Arab descent across the globe. The Kuwait Prize is awarded in five fields, four annually for Arabs (Basic Sciences, Applied Sciences, Economics and Social Sciences, Art and literature), and the fifth in Arabic and Islamic Scientific Heritage – Science, every third year for all nationalities. The awardees receive a cash prize [$130,000], a gold medal, a KFAS shield, and a certificate of recognition. The ceremony will take place in Kuwait, and the award will be presented by HH The Amir Sheikh Sabah Al-Ahmad Al-Jaber Al-Sabah.

Highly Cited Researchers

NMGC members included in Highly Cited Researcher List

November 18, 2019 | Christopher Cramer, Omar Farha, Donald Truhlar, 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.'

Laura Gagliardi

Laura Gagliardi receives 2020 Peter Debye Award

August 26, 2019 | Professor Laura Gagliardi has received the American Chemical Society's 2020 Peter Debye Award in Physical Chemistry. She is honored for her leadership in developing and applying quantum mechanical electronic structure methods to multi-configurational problems in bonding, catalysis, and inorganometallic chemistry.

summer undergraduates

Annual Theoretical Chemistry Fellowship Program for Talented Undergraduates

June 3, 2019 | NMGC, along with the Inorganometallic Catalyst Design Center (ICDC) and the Chemical Theory Center (CTC), sponsors an annual theoretical chemistry fellowship program for talented undergraduates entering their senior year. The fellowship program provides a 10-week research experience under the guidance of one or more of the CTC faculty members, and includes a stipend and travel allowance.

J. Ilja Siepmann

Ilja Siepmann named a Fellow of the American Institute of Chemical Engineers

May 30, 2019 | NMGC Director Ilja Siepmann has been named a Fellow of the American Institute of Chemical Engineers (AIChE), which is the highest grade of membership and achieved only through election by the Board of Directors. Candidates for AIChE Fellow are nominated by their peers and must have significant chemical engineering experience (generally 25 years), must have demonstrated significant service to the profession, and must have been a member of AIChE for at least 10 years.

Laura Gagliardi

Laura Gagliardi awarded McKnight Presidential Endowed Chair

May 8, 2019 | Professor Laura Gagliardi has been awarded a prestigious McKnight Presidential Endowed Chair by University President Eric Kaler. This is one of the University's highest faculty awards. The Presidential Endowed Chair acknowledges the critical contributions of important University faculty who have distinguished themselves and their departments in the missions of research, education, and public engagement. Recipients are recommended by their college dean and chosen at the discretion of the president based on their academic and research accomplishments and their contributions to advancing the University among its peers.

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NMGC Paper Featured

May 3, 2019 | An NMGC paper “Zirconium-Based Metal–Organic Frameworks for the Removal of Protein-Bound Uremic Toxin from Human Serum Albumin” by the Farha and Snurr groups was featured in the February 18, 2019 issue of Chemical & Engineering News

Randy Snurr

Randy Snurr elected corresponding member of the Saxon Academy of Sciences

April 15, 2019 | Randy Snurr has been elected as a corresponding member of the Saxon Academy of Sciences. The academy was founded in 1846 and is now one of the regional academies in Germany. The list of previous members includes Boltzmann, Heisenberg, and Planck.

Sam Stoneburner

Samuel Stoneburner receives 2018-19 Overend Award

April 15, 2019 | Kajari Bera and Samuel “Sam” Stoneburner have received the 2018-19 Overend Award in Physical Chemistry. This award honors outstanding physical chemistry graduate student researchers. Kajari, a fourth-year graduate student working with Professor Renee Frontiera, is the award winner in the experimental physical chemistry area. Sam, a fifth-year graduate student advised by Professor Laura Gagliardi, is the award winner in the theory/computation area.

Coray Colina

Coray Colina receives Cooperative Research Award in Polymer Science and Engineering

April 1, 2019 | Coray Colina was part of a collaborative team from industrial, government and academic research laboratories that received the Cooperative Research Award in Polymer Science and Engineering from the ACS Division of Polymeric Materials: Science and Engineering. The team delivered quantitative models to explain current performance limits and to guide future improvements of RO membrane materials. The work resulted in major breakthroughs in the understanding of the water purification membranes that play a central role in addressing water crisis. The team is credited with simultaneous development of homogenous membrane materials with systematic structural variations, advanced analytical techniques to quantify materials structure, and integrated computational models in a manner that establish fundamental structure-property-processing relationship for RO membranes.

Omar Farha

Omar Farha receives Japan Society of Coordination Chemistry Award

March 29, 2019 | NMGC member Omar Farha has received the Japan Society of Coordination Chemistry (JSCC) International Award for Creative Work. This award is presented to an early-career researcher who has contributed to the development of coordination chemistry through outstanding and pioneering work. Prof. Farha will deliver his award lecture during the 69th Conference of Japan Society of Coordination Chemistry in Nagoya University, Aichi, Japan, 21-23 September 2019.

Ben Bucior Wins Poster Award

Ben Bucior wins poster award

March 19, 2019 | Graduate student Ben Bucior (Snurr Group, Northwestern University) won the 1st place graduate poster award at the the 2019 AIChE Chicago Annual Student Poster Competition.

Laura Gagliardi

Laura Gagliardi receives 2019 Award in Theoretical Chemistry

January 16, 2019 | Professor Gagliardi has received the 2019 Award in Theoretical Chemistry from the Physical Chemistry Division of the American Chemical Society (ACS). She was honored "for her contributions to the development of quantum chemical methods and their application to multireference systems containing metals, relevant to catalysis, and excited states." With this award the Physical Chemistry Division of the American Chemical Society recognizes the most outstanding scientific achievements of members of the Division. The 2019 recipients will be honored at the fall 2019 ACS National Meeting in San Diego.

Joachim Sauer

Joachim Sauer awarded 2019 Schrödinger Medal

December, 2018 | 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.

Web of Science

NMGC members included in Highly Cited Researcher List

November 27, 2018 | 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.'

Joseph Hupp

Joseph Hupp recieves 2019 George S. Hammond Award

November 27, 2018 | The Inter-American Photochemical Society (I-APS) has named Joseph Hupp the 2019 recipient of the George S. Hammond Award. This biennial award is presented “for lifelong achievement in, and contributions to, the photochemical sciences.” Joe’s contributions span the range from fundamental work on light-induced electron-transfer reactions to elucidation of mechanisms for molecule-powered solar cells and to design and synthesis of new classes of light-harvesting and photocatalytic materials.

ACS Logo

Jeffrey Long and Donald Truhlar receive awards

September 17, 2018 | UC Berkeley Professor Jeffrey R. Long has received the F. Albert Cotton Award in Synthetic Inorganic Chemistry and 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.

Gordon Research Logo

NMGC members give plenary talks

August 8, 2018 | 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"
  • Alán Aspuru-Guzik, "(R)evolution: Six Challenges for Theoretical Chemistry at the Interface with Computer Science for the Twenty-First Century"
In addition, Jeffrey Long and Smaranda Marinescu served as discussion leaders.

Ethanol separation

NMGC members receive patent

August 7, 2018 | 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.

2018 ASME Touloukian Award

Ilja Siepmann receives Yeram S. Touloukian Award

June 26, 2018 | 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

World Association of Theoretical and Computational Chemists

September 14, 2017 | 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.

Evgenii Fetisov

Evgenii Fetisov receives Chemical Computing Group Excellence Award

August 28, 2017 | 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.

Mansi Shah

Mansi Shah receives the Separations Division Graduate Student Research Award

November 14, 2016 | This 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. The award was presented at the AIChE Annual Meeting.

Take the Best, Leave the Rest

September 22, 2016 | 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.

Pragya Verma

Pragya Verma awarded Fellowship

April 4, 2016 | NMGC Researcher Pragya Verma has been awarded the Richard D. Amelar and Arthur S. Lodge Fellowship for Outstanding Collaborative Research in Materials.

Michael Tsapatsis

Michael Tsapatsis elected to National Academy of Engineering

April 4, 2016 | 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.

Petroleum processing

Researchers Identify Materials to Improve Petroleum Processing

January 26, 2015 | 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.

Chemists

UMN Researchers Collaborate with UC Berkeley on Catalyst

June 27, 2014 | University of Minnesota chemists explain a 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.

acknowledgement

Department of Energy Logo

This research is supported by the U.S. Department of Energy, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences and Biosciences under Award DE-FG02-17ER16362 (Predictive Hierarchical Modeling of Chemical Separations and Transformations in Functional Nanoporous Materials: Synergy of Electronic Structure Theory, Molecular Simulations, Machine Learning, and Experiment) and was previously supported by DE-FG02-12ER16362 (Nanoporous Materials Genome: Methods and Software to Optimize Gas Storage, Separations, and Catalysis).

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