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.
Gagliardi group welcomes undergraduate student for summer program.
The theory faculty are happy to welcome four undergraduate students to Minnesota as participants in the first Chemical Theory Center/Inorganometallic Catalyst Design Center summer program within the Department of Chemistry. They are here for 10 weeks (June-August) and will conduct research in theoretical chemistry. Katherine Kidder (Franklin & Marshall College, Lancaster, PA) is working in the Gagliardi group, under postdoc Andrew Sand, on multiconfiguration pair-density function theory; Hirbod Heidari (Sharif University, Tehran) is working in Don Truhlar’s group; Jason Goodpaster is advising Hunter Wilson (James Madison University, Harrisonburg, PA), and Qining Wang (Rutgers University) is part of Chris Cramer’s group. Welcome to all of you and we wish you the best with your summer research experience.
Varinia Bernales has been honored with one of two Wiley/ACS Computers in Chemistry Outstanding PostDoc Awards.
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!
Sam Stoneburner honored with cover feature.
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.
Molly Andersen receives two fellowships!
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.
Inorganometallic Catalyst Design Center (ICDC) showcases a new video!
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.
Jing Xie and Debmalya Ray’s work featured on the Department of Chemistry’s website.
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 website (also on April 24). To read the article and for a link to the paper, click here.
Laura and the Gagliardi group gave several talks at the ACS 253rd National Meeting and Exposition.
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 and Gagliardi group postdoc Jing Xie gave several talks at ACS.
Jenny Vitillo joins the Gagliardi group!
The group welcomes new postdoc, Jenny Vitillo, from Università di Torino (University of Turin), Italy. She is co-advised by Laura and UMN Chemistry faculty member, Connie Lu. We are happy to have you here, Jenny.
Dr. Walter A. Rabanal León visits Gagliardi group!
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.
Group welcomes three new members!
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.
Two members pass their preliminary examinations.
Second-year graduate students Prachi Sharma and Hung Pham passed their preliminary examinations. Congratulations to both!
Laura gave the MARVEL NCCR Distinguished Lecture at EPFL.
On December 20, Laura 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.
Debmalya Ray passed his preliminary exam!
On December 5, second-year graduate student Debmalya Ray passed his preliminary exam. Good job, Debmalya!
New postdoc joins the group.
Jingyun Ye joined the group as a postdoctoral researcher. She is co-advised by Laura, Chris Cramer, and Don Truhlar. Welcome, Jingyun!
Laura receives the 2016 Isaiah Shavitt Lecture Award.
Laura 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.
Gagliardi group featured in an article about Metal-Organic Frameworks.
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.
Gagliardi group awarded massively parallel processing hours.
Laura 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.
Dale Pahls accepts a postdoctoral researcher position.
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!