NMGC receives a four-year continuation of its funding!
The Nanoporous Materials Genome Center (NMGC), a multi-institution collaboration led by the University of Minnesota, received a four-year continuation of its funding, effective September 1, 2017. Laura is the founding Director of NMGC and continues as a member of the Center.
Gagliardi group participates in ICDC collaborative work.
The collaborative work of several members of the University of Minnesota’s Inorganometallic Catalyst Design Center (ICDC), an article titled “C–H Bond Activation on Bimetallic Two-Atom Co-M Oxide Clusters Deposited on Zr-Based MOF Nodes: Effects of Doping at the Molecular Level,” was recently featured in the journal <em>ACS Catalysis.
WooSeok Jeong joins Gagliardi group.
WooSeok Jeong, most recently of the Department of Chemical and Biomolecular Engineering, Korea Advanced Institute of Science and Technology, has joined the group as a postdoc.
Matthew Hermes joins as a postdoc.
The group welcomes Matthew Hermes, most recently a postdoc in the Scuseria Group at Rice University in Houston, TX, as a postdoc.
Gagliardi group attends the New Challenges in Heterogeneous Catalysis conference.
On January 29-31, Laura, grad student, Matt Simons, and postdocs, Jenny Vitillo and Jingyun Ye attended the New Challenges in Heterogeneous Catalysis conference at KAUST.Laura gave a talk on “Computationally Guided Discovery of Metal-Decorated Metal–Organic Frameworks Active for Catalysis,” and Jingyun won one of the prizes at the poster competition with a poster titled “Computational Study of MOF-Supported Metal Catalysts for Ethylene Dimerization.”
Chad Hoyer accepts new postdoctoral position.
Former graduate student, Chad Hoyer has accepted a postdoctoral position in the research group of Xiaosong Li in the Department of Chemistry at the University of Washington.Great news!
Andrew Sand authors of the November 7 Los Angeles Times crossword puzzle.
Postdoc, Andrew Sand is the author of the November 7 Los Angeles Times crossword puzzle. It is not just Andrew’s cientific papers that get published! See the puzzle.
The group welcomes three first-year graduate students!
The group welcomes three first-year graduate students: Riddhish Umesh Pandharkar (co-advised by Chris Cramer), Thais Scott, and Jacob White. We are glad to have you with us. We are glad to have you with us.
Sunny Zheng is a recipient of a University of Minnesota Undergraduate Research Opportunities Program grant.
Undergraduate, Sunny Zheng is a recipient of a University of Minnesota Undergraduate Research Opportunities Program (UROP) grant for spring 2018. Her project is titled “Effect of Electron Correlation in Modeling the Ground and Excited-State Geometries of Ozone and the Reaction Mechanism of the Cope Rearrangement.”
Sam Stoneburner named a finalist in the 2017 Dow Chemical Sustainability Innovation Student Challenge Award competition.
Graduate student, Sam Stoneburner is one of four finalists in the 2017 Dow Chemical SISCA (Sustainability Innovation Student Challenge Award) competition. SISCA recognizes and rewards student innovation and research on sustainable solutions to the world’s most pressing social, economic and environmental problems.
Laura is part of a multi-institution team led by the University of Notre Dame that has been awarded a grant by the National Nuclear Security Administration (NNSA), the Actinide Center of Excellence (ACE), to conduct research in actinide and nuclear chemistry.
Some members of the group are pictured, below, in the Group lab.

The Inorganometallic Catalyst Design Center (ICDC) held its annual All-Hands Meeting.
The Inorganometallic Catalyst Design Center (ICDC) held its annual All-Hands Meeting at the Saint Paul Hotel. All of the junior investigators in the ICDC, many of whom are members of the Gagliardi Group, participated in the talks and poster session, and did an excellent job.
Gagliardi group featured in J. Phys. Chem. A!
“Viewpoint on the 2017 American Conference on Theoretical Chemistry,” published in J. Phys. Chem. A, discusses the latest efforts of the Gagliardi group.
Chad Hoyer successfully defended his thesis.
On September 15, graduate student, Chad Hoyer (co-advised by Don Truhlar) successfully defended his thesis, “Electronic Structure Method Development for Excited-State Chemistry.”He is currently exploring postdoctoral opportunities. Congratulations, Chad!
Inorganometallic Catalyst Design Center held its annual meeting.
The Inorganometallic Catalyst Design Center (ICDC) held its annual meeting on September 11-12, at the St. Paul Hotel. Several members of the group are members of the ICDC; Laura is the Director.
Laura elected to the WATOC Board.
Laura has been elected to the World Association of Theoretical and Computational Chemists (WATOC) Board.
Four undergraduates join the group for Fall 2017
Welcome to four undergraduates, joining the group for Fall 2017: Molly Andersen, Michelle Anderson, Yesenia Vega, and Sunny Zheng.
Varinia Bernales receives a travel grant to present her research.
Postdoc, Varinia Bernales has received a travel grant to present her research at the 254th American Chemical Society National Meeting and Exposition in Washington, D.C., August 20-24, 2017.Congratulations, Varinia!
Congratulations to Rebecca Carlson, who successfully defended her Ph.D. thesis, titled “A Study of Metal-Metal Bonds and Multiconfiguration Pair-Density Functional Theory,” on July 28.
She is considering several options for her future, including postdoctoral positions or a position in industry. We wish her the best.

ICDC co-hosts The Minnesota Workshop, ab Initio Modeling in Solid State Chemistry with CRYSTAL.
The University of Minnesota’s Inorganometallic Catalyst Design Center (ICDC), the Minnesota Supercomputing Institute, and the Chemical Theory Center (CTC), along with the Theoretical Chemistry Group of the University of Torino, Italy, co-hosted The Minnesota Workshop, ab Initio Modeling in Solid State Chemistry with CRYSTAL, from July 9-14, at Minnesota. CRYSTAL is a computational tool for solid state chemistry and physics. Read more about the workshop and the software, and see photos of the participants on the Department of Chemistry’s web site.

On July 7, the Gagliardi and Cramer groups met in a friendly bowling competition at Memory Lanes in Minneapolis (organized by group member Hung Pham).
By a very small margin, the Gagliardi group was victorious. Thanks for organizing this, Hung.


Jenny G. Vitillo and Laura Gagliardi serve as guest editors of a special issue of Chemical Review.
Jenny G. Vitillo, Laura, and Berend Smit (EPF Lausanne) were the guest editors of a special issue of Chemical Review on “Carbon Capture and Separation.”The July 26 cover of Chemical Review, designed by Jenny, features the multipronged strategy envisaged to divert the trend in the terrestrial average temperature on time to keep it under the limit of 1.5 °C. Great work!

Jingyun Ye selected as a winner for the CRYSTAL workshop poster session contest.
A poster session was held on Wednesday, July 12, as part of the CRYSTAL workshop. Five winners were chosen: Sara Dampf of Syracuse University , Tae Yun Kim of Seoul National University (South Korea), Duwage Perera of the University of Maine, Stefano Racioppi of the Università degli Studi di Milano (Italy), and Gagliardi group member, Jingyun Ye. Congratulations to the winners!
Soumen Ghosh selected for 2017-18 Doctoral Dissertation Fellowship.
Fourth-year grad student, Soumen Ghosh is one of seven graduate students selected by the Department of Chemistry for a Doctoral Dissertation Fellowship for the 2017-18 academic year. Soumen is co-advised by Chris Cramer. Congratulations, Soumen!
Laura completes a lecture tour in the United Kingdom for the RSC Bourke award.
From June 1-9, Laura was on a lecture tour in the United Kingdom for the RSC Bourke award that she received in 2016. She gave lectures at Imperial College London, at the University of Sheffield, at the Faraday Discussion on New Directions in Porous Crystalline Materials in Edinburgh, and at the University of Southampton.