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May, 2017

Graduate student Sam Stoneburner's recent paper, "Catechol-Ligated Transition Metals: A Quantum Chemical Study on a Promising System for Gas Separation", was selected as the cover feature for the latest issue of the Journal of Physical Chemistry C: Link.

Postdoc Varinia Bernales has been honored with one of two Wiley/ACS Computers in Chemistry Outstanding PostDoc Awards. From the award notification: "This award is a testimony of the high impact and quality of your research, and, as future leaders in the field, you are going to contribute in shaping the computational chemistry of the future." Read more on the Department of Chemistry web site. This is quite an accomplishment!

Undergraduate researcher Molly Andersen has received two fellowships: from the Department of Chemistry, the David A. and Merece H. Johnson Scholarship "for outstanding achievement in undergraduate research as well as overall scholastic excellence," and from the School of Physics and Astronomy, the Hagstrum Award in Physics, which "is awarded to a senior in physics showing excellence and promise in their chosen field." Congratulations to Molly.

The Inorganometallic Catalyst Design Center (ICDC), a U.S. Department of Energy-sponsored Energy Frontier Research Center (EFRC). is based at the University of Minnesota. Recently, a video showcasing the important work of the ICDC was produced. You can view it from the ICDC web site's home page.


April, 2017

As part of The American Chemical Society (ACS) 253rd NATIONAL MEETING & EXPOSITION on Advanced Materials, Technologies, Systems & Processes, April 2-6, 2017, in San Francisco, there was a Women in COMP breakfast on Tuesday, April 4. This was a mentorship opportunity for female postdoctoral scholars. In addition to this special program, Laura Gagliardi and Gagliardi group postdoc Jing Xie gave several talks at ACS.

A paper co-authored by postdoc Jing Xie and graduate student Debmalya Ray, published in the journal Nature Chemistry on April 24, was featured on the Department of Chemistry's web site (also on April 24). To read the article and for a link to the paper, click here.

The group welcomes new postdoc Jenny Vitillo, from Università di Torino (University of Turin), Italy. She is co-advised by Laura Gagliardi and UMN Chemistry faculty member Connie Lu. We are happy to have you here, Jenny.


March, 2017

The group welcomes visiting postdoctoral scholar Walter A. Rabanal León of the Department of Chemistry at Universidad Andrés Bello, Santiago, Chile, where he is a member of the Millennium Nucleus Molecular Engineering for Catalysis and Biosensors group.


February, 2017

The group welcomes three new members: postdoc Davide Presti, who comes to Minnesota from the University of Modena and Reggio Emilia, Modena, Italy, University of Minnesota undergraduate researcher Michelle Anderson, and postdoc Carlo Gaggioli from Università degli Studi di Perugia, Perugia, Italy.


January, 2017

Second-year graduate students Prachi Sharma and Hung Pham passed their preliminary examinations. Congratulations to both!


December, 2016

On December 5, second-year graduate student Debmalya Ray passed his preliminary exam. Good job, Debmalya!

Postdoc Dale Pahls has accepted a postdoctoral researcher position in the Materials Science Division of Argonne National Laboratory in Argonne, Illinois. We wish you the best, Dale!

Laura Gagliardi and Don Truhlar, along with some of the postdocs in the Gagliardi group, were awarded 229,000 massively parallel processing (MPP) hours for computing projects at the National Energy Research Scientific Computing Center (NERSC) for 2017, as part of the efforts of the Inorganometallic Catalyst Design Center (ICDC), of which Laura is the Director. Read the story on the Department of Chemistry web site.

Laura Gagliardi received the 2016 Isaiah Shavitt Lecture Award from the Department of Materials Science and Engineering at Technion - Israel Institute of Technology, in Tel Aviv. In mid-December, she travelled to Technion to give lectures and lead a symposium. Read more on the Department of Chemistry's web site.

On December 20, Laura Gagliardi gave the MARVEL NCCR Distinguished Lecture at EPFL (École polytechnique fédérale de Lausanne) in Lausanne, Switzerland. The lecture was on "Homogenous and heterogeneous catalysis: two challenges for modern quantum chemistry." You can listen to and watch the lecture here.


November, 2016

First-year graduate student Matt Simons has joined the Gagliardi Group. He is co-advised by Aditya Bhan in Chemical Engineering and Materials Science (CEMS). Welcome to Matt.


October 31, 2016

Laura Gagliardi was named one of the 34 Fellows of the University of Minnesota's Institute on the Environment for 2017 (IonE). Read the news story on the IonE web site.


October 27, 2016

Laura Gagliardi was one of the members of a Nanoporous Materials Genome Center (NMGC) team that has created a game that will teach young people about nanotechnology, engage them in working on a real-world problem and spark their creativity to build structures that will help solve a troublesome real-world environmental issue. Read the story.


October 11, 2016

Laura Gagliardi has been elected a Fellow of the American Physical Society. For more information, read the article on the Department of Chemistry's web site.


October 4, 2016

An article about Metal-Organic Frameworks (MOFs), describing the work of some of the members of the Gagliardi and Cramer groups at Minnesota, along with other members of the Inorganometallic Catalyst Design Center (ICDC), was featured in the News section of the Department of Chemistry's web site. Read the article.


September 28, 2016

Jingyun Ye joined the group as a postdoctoral researcher. She is co-advised by Laura Gagliardi, Chris Cramer, and Don Truhlar. Welcome, Jingyun!


September 15, 2016

Sam Stoneburner, now a third-year graduate student, received the 2016 Robert and Jill DeMaster Fellowship, one of the Department of Chemistry's Excellence Awards. Read more.

Sam was also invited by his undergraduate institution, Hillsdale College, to give an invited talk, "Catechol-Ligated Transition Metals: A Quantum Chemical Study on a Promising System for Gas Separation," and to meet with current undergraduates to tell them about life in graduate school.

Congratulations to Sam on both of these accomplishments!


September 12, 2016

Laura Gagliardi gave a talk at the Materials Research Society's 5th International Conference on Metal-Organic Frameworks & Open Framework Compounds (MOF2016) in Long Beach, California, on the work of the Inorganometallic Catalyst Design Center.


September, 2016

A recent study, published in Chemistry of Materials and involving Department of Chemistry researchers from the Gagliardi Group and the Inorganometallic Catalyst Design Center (see entry immediately below for more information on the ICDC), demonstrates a novel strategy to install uniform heterobimetallic single sites within a metal-organic framework (MOF). Read more.


August, 2016

The Inorganometallic Catalyst Design Center (ICDC), a Department of Energy-sponsored Energy Frontier Research Center (EFRC), held its annual All-Hands Meeting at The Saint Paul Hotel on August 15 and 16. In addition, Prof. Ian Tonks of the University of Minnesota, a recently added principal investigator within the ICDC, gave a workshop on Reaction Mechanisms immediately following the All-Hands Meeting. Laura Gagliardi is the Director of the ICDC. Several members of the Gagliardi Group, along with many postdocs and graduate students at the University, are members of the multi-institution ICDC.


July 27, 2016

Konstantinos (Kostas) Vogiatzis, postdoc in the Gagliardi Group, has accepted a faculty position as an assistant professor at the University of Tennessee, Knoxville. Congratulations, Professor Vogiatzis!


July 25, 2016

Laura Gagliardi has been named an associate editor for Journal of Chemical Theory and Computation. Read more


July, 2016

Welcome to Xin-Ping Wu, who joins the group as a postdoc. He is co-advised by Laura Gagliardi and Don Truhlar.


June 10, 2016

Joshua Borycz successfully defended his thesis, "Computationally Driven Characterization of Magnetism, Adsorption, and Reactivity in Metal-Organic Frameworks." Congratulations, Dr. Borycz!


June, 2016

Laura Gagliardi is now a fellow of the Royal Society of Chemistry through its "Leaders in the Field" program. Fellows in this program are outstanding individuals in the chemical science community.


June, 2016

Welcome to Hakan Demir and Bo Yang, two new postdocs in the Gagliardi Group. Hakan is co-advised by Laura Gagliardi and Chris Cramer; Bo is co-advised by Laura Gagliardi and Don Truhlar.


May 17, 2016

A theoretical study was recently performed by Gagliardi Group postdoc and Inorganometallic Catalyst Design Center (ICDC) scientific coordinator Varinia Bernales, within a collaboration of the members of the ICDC, on the NU-1000 metal-organic framework (MOF). This study resulted in a major achievement - the discovery that the adsorption processes of glucose and cellobiose on the NU-1000 MOF occur at the hydrophobic sites. Until now, only enzymes have demonstrated the ability to selectively bond the β-linked dimer of glucose (cellobiose), while completely rejecting the bonding of glucose itself. Great work, Varinia! Read more.


May 9, 2016

Laura Gagliardi is the recipient of the 2016 Bourke Award from the Royal Society of Chemistry, honored for her contributions to quantum chemistry. This award honors the top scientists in their fields for the originality of their research, the impact of their research, quality of their publications, patents or software, innovation, professional standing, and collaborations and teamwork. Read more.


May, 2016

A collaborative team of researchers that includes Laura Gagliardi, along with Eray Aydil and Chris Leighton from the Department of Chemical Engineering & Materials Science (CEMS), have received a research grant to explore pyrite iron disulfide as a low-cost solution for renewable electricity. This team was one of four at the University of Minnesota to receive a $717,360 grant from the Institute on the Environment's Renewable Electricity for Minnesota's Future grant program. Read more.


May, 2016

The Spring 2016 issue of the Frontiers in Energy Research newsletter features the work of the Inorganometallic Catalyst Design Center, of which Laura Gagliardi is the Director. An article, titled "Five Cents About Nickel Catalysts," was co-authored by Gagliardi Group postdoc and ICDC scientific coordinator Varinia Bernales.


April 27, 2016

As part of their Physical Chemistry Seminars series, Laura Gagliardi gave a talk, "Multireference Methods for Excited-States and Transition-Metal Containing Systems," at University of Illinois at Urbana-Champaign.


April 26, 2016

Collaborative research led by Laura Gagliardi and Chris Cramer has been selected for publication in a special American Chemical Society (ACS) virtual issue on atomic layer deposition (ALD).


April 20-21, 2016

Laura Gagliardi gave an invited talk at Harvard/MIT's Inorganic Chemistry Seminar.


April, 2016

Graduate student Chad Hoyer is one of ten recipients of the Department of Chemistry's 2016-17 Doctoral Dissertation Fellowships (DDF). The DDF program provides a stipend, tuition, and special travel grants to its awardees. Congratulations, Chad! Read more.


March, 2016

Ph.D. students Liam Wilbraham of Chimie ParisTech, France and Ági Szécsényi of Delft University of Technology, The Netherlands, join the group as visiting scholars during Spring 2016. They will collaborate with Gagliardi Group members. Welcome to Liam and Ági!


March 9, 2016

Five Chemistry graduate students at Minnesota, including Gagliardi Group member Josh Borycz, will present their research at the University's 2016 Doctoral Research Showcase on April 6. Read more.


February, 2016

A collaborative team within the Inorganometallic Catalyst Design Center, under Director Laura Gagliardi, present an approach called nanocasting to provide a more thermally stable scaffold for MOF-based catalytic metal sites, making them suitable for high temperature catalysis. Read more.


February, 2016

The Gagliardi and Cramer groups recently elucidated the mechanism of a single-site nickel catalyst synthesis and the catalytic activity thereof. Read more about this exciting new development here; see the article published in Journal of the American Chemical Society here.


January, 2016

Laura Gagliardi was one of the contributors to the U.S. Department of Energy: Winter 2015 Frontiers in Energy Research newsletter article, “Perspectives on Women in Energy Science.”




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207 Pleasant Street SE, Minneapolis, MN, 55902

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