Browsing by Author "Department of Chemistry"

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    Chem News - December 2011
    (Department of Chemistry, 2011-12) Department of Chemistry
    As the articles in this issue of our newsletter attest, we've had a great year and we're poised to continue building on our proud tradition of outstanding teaching, research, and outreach and service to the community. Read about innovative changes to our general chemistry labs, our green chemistry initiatives, our scholarship recipients, our research, and our award-winning faculty.
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    Chem News - December 2012
    (Department of Chemistry, 2012-12) Department of Chemistry
    In this issue you will find articles describing our new safety partnership with Dow Chemical Company; some major new research center grants supporting theoretical chemistry efforts; a particularly exciting discovery from the Hoye research group that has garnered international attention; and profiles of a few of our outstanding students.
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    Chem News - December 2013
    (Department of Chemistry, 2013-12) Department of Chemistry
    In this issue, you will find articles on the work of our Joint Safety Team and the impact it is having on the culture of safety within the Department of Chemistry; our outstanding professors including Timothy Lodge who was named a Regents professor; the department's new Diversity Committee; and perspectives from some of our outstanding student researchers and their research.
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    Chem News - January 2011
    (Department of Chemistry, 2011-01) Department of Chemistry
    As the newly named College of Science & Engineering celebrates its 75th anniversary, it is a good time to reflect on the central role that the Department of Chemistry has played in the history of the college and the university. Read about the department's outreach activities, its online chemistry course, the new Center for Sustainable Polymers, faculty honors and awards, and current cutting-edge research.
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    Chem News 2005
    (Department of Chemistry, 2005) Department of Chemistry
    The big event during 2004 was the centennial celebration held on October 9th. Although students were taking chemistry courses and graduating as majors before 1904, it was in this year that the School of Chemistry was established and George B. Frankforter was appointed as its first Dean. More currently, over the past two years, the department has focused a great deal of attention on the Kolthoff Hall renovation. The state bonding bill, which includes two-thirds of the funds for the 26.1 million dollar project, was signed into law by Governor Pawlenty on April 11, 2005. This was also a great year for our faculty, who received many awards summarized elsewhere in this letter.
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    Chem News 2006
    (Department of Chemistry, 2006) Department of Chemistry
    It’s been quite a year. Wayne Gladfelter stepped down as Department Chair after six years of dedicated service to enjoy life as a "regular" professor again. We were delighted to welcome Christy Haynes and Aaron Massari to the faculty. Five chemistry professors–David Blank, Mike Bowser, Phil Buhlmann, Kris McNeill, and Gianluigi Veglia have been promoted to associate professor.
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    Chem News 2007
    (Department of Chemistry, 2007) Department of Chemistry
    There is much to report in this year’s newsletter, most of it good, but some sobering: we continue to mourn the death of our colleague Marian Stankovich last June. Marian can never be replaced, but the department welcomed three new assistant professors: Chris Douglas, Andy Harned, and Valerie Pierre. Awards to faculty members, graduate students and undergraduates, included a Rhodes Scholarship to U of M chemistry and biochemistry major Katie Lee.
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    Chem News 2008
    (Department of Chemistry, 2008) Department of Chemistry
    This fall’s newsletter is brim full. By the time you read this, the renovation of Kolthoff Hall will be complete. The department hired two new professors, Connie Lu and Laura Gagliardi. As usual, the awards flowed in, including the ACS Award in Analytical Chemistry to Pete Carr, an NIH New Innovator Award to Christy Haynes, and an Astronaut Scholarship Foundation scholarship to chemistry major Andrew Jones.
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    Chem News 2009
    (Department of Chemistry, 2009) Department of Chemistry
    As the cold settles in and the lakes freeze over, research and teaching in the Department of Chemistry remains as hot as ever. Evidence for the health and vitality of the department is plentiful in this issue of ChemNews, which features items on recent student and faculty awards, research, education innovation, and alumni achievements. Thanks for reading! And thank you for your support of our continued efforts to push the boundaries of chemistry research and educate the scientific leaders of tomorrow.
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    Data for Fingerprinting diverse nanoporous materials for optimal hydrogen storage conditions using meta-learning
    (2021-05-19) Sun, Yangzesheng; DeJaco, Robert F; Li, Zhao; Tang, Dai; Glante, Stephan; Sholl, David S; Colina, Coray M; Snurr, Randall Q; Thommes, Matthias; Hartmann, Martin; Siepmann, J Ilja; siepmann@umn.edu; Siepmann, J. Ilja; Nanoporous Materials Genome Center; Department of Chemistry; Department of Chemical Engineering and Materials Science; Chemical Theory Center
    Adsorption using nanoporous materials is one of the emerging technologies for hydrogen storage in fuel cell vehicles, and efficiently identifying the optimal storage temperature requires modeling hydrogen loading as a continuous function of pressure and temperature. Using data obtained from high-throughput Monte Carlo simulations for zeolites, metal–organic frameworks, and hyper-cross-linked polymers, we develop a meta-learning model which jointly predicts the adsorption loading for multiple materials over wide ranges of pressure and temperature. Meta-learning gives higher accuracy and improved generalization compared to fitting a model separately to each material. Here, we apply the meta-learning model to identify the optimal hydrogen storage temperature with the highest working capacity for a given pressure difference. Materials with high optimal temperatures are found closer in the fingerprint space and exhibit high isosteric heats of adsorption. Our method and results provide new guidelines toward the design of hydrogen storage materials and a new route to incorporate machine learning into high-throughput materials discovery.