Dr. Xin-Ping Wu, a postdoctoral scholar co-advised by Don Truhlar, has proposed that metal–organic frameworks (MOFs) containing cerium would also be good photocatalysts. This work, supported by the Nanoporous Materials Genome Center, shows the power of theory in engineering the electronic properties of functional nanoporous materials.
Category Archives: Research and Publications
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.
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 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.”
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.
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.
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.
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.
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.
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!
