News
Victor's thesis defense
Victor's thesis defense
Congratulations Dr. Chávez!
Congratulations Dr. Chávez!
Victor successfully defended his thesis titled "Recent Advances in Software for a Density Functional Theory of Molecular Fragments" in May of 2022 and will be joining OpenEye as a scientific software developer in Santa Fe, NM.
Group attends APS
Group attends APS
Two current students Victor H. Chavez and Yuming Shi presented their latest research at the 2022 March Meeting of the APS. Additionally, older members Martin Mosquera and Kaili Jiang also joined for some very interesting results.
Yan's thesis defense
Yan's thesis defense
Congratulations Dr. Oueis for a fantastic Ph.D. defense!
Yan will be joining the group of Professor Viktor Staroverov as a postdoc.
We wish you all the best.
Yan will be joining the group of Professor Viktor Staroverov as a postdoc.
We wish you all the best.
THE GROUP CONNECTING A LAPTOP
THE GROUP CONNECTING A LAPTOP
But how will we solve the many-electron problem?
VICTOR GETS DEPARTMENTAL AWARDS!
VICTOR GETS DEPARTMENTAL AWARDS!
Victor H. Chávez was awarded today at the “Chemistry Recognition Luncheon“ with the ”Arthur Kelly Teaching Award” based on his student’s reviews and the “Charles H. Viol Memorial Chemistry Fellowship“. Congratulations!
YAN GOES TO ACS
YAN GOES TO ACS
Yan Oueis, senior member of our group, presented his talk at the 2019 American Chemistry Society titled: “What we can learn from exact embedding potentials of models systems“ .
KELSIE IS NOW A PHD
KELSIE IS NOW A PHD
Our student, Kelsie Niffenegger, successfully defended her dissertation with the title: “Partition Density Functional Theory for Semi-Infinite and Periodic Systems“. We are happy for her, but also sad to be leaving the group. Congratulations!
KAILI PHD THESIS DEFENSE
KAILI PHD THESIS DEFENSE
We celebrating Kaili Jiang’s PhD defense and wish him all the best for his postdoc at Princeton. He will make the group proud by working with Dr. Michele Pavanello. Congratulations!
VICTOR WINS BEST POSTER AWARD!
VICTOR WINS BEST POSTER AWARD!
One of the 10 best poster awards was given to Victor H. Chávez in his collaboration with former member Daniel Whitenack! (Don't mind the misspelling of his last name).
50TH MIDWEST THEORETICAL CHEMISTRY CONFERENCE
50TH MIDWEST THEORETICAL CHEMISTRY CONFERENCE
Members of the Wasserman Group: Victor, Yan and Kui successfully presented their latest updates at the 50th Midwest Theoretical Chemistry Conference in Chicago.
DR. MOSQUERA // SUSHI LUNCH
DR. MOSQUERA // SUSHI LUNCH
Celebrating Martin's PhD defense and wishing him all the best for his postdoc at Northwestern.
JONATHAN WINS OUTSTANDING POSTER AWARD
JONATHAN WINS OUTSTANDING POSTER AWARD
Jonathan Nafziger received an outstanding poster award at the 2014 Midwest Theoretical Chemistry Conference in Evanston, IL. The prize, sponsored by the Journal of Physical Chemistry, was awarded at Northwestern University on June 16, 2014.
JONATHAN'S ARTICLE IS FEATURED ON THE COVER OF THE JOURNAL OF PHYSICAL CHEMISTRY A
JONATHAN'S ARTICLE IS FEATURED ON THE COVER OF THE JOURNAL OF PHYSICAL CHEMISTRY A
Read the article here
GORDON RESEARCH CONFERENCE
GORDON RESEARCH CONFERENCE
Jonathan, Martin, Daniel, and Adam presented their work at the Gordon Research Conference on Time-dependent Density Functional Theory in Biddeford, ME, August 10 - 16, 2013.
48 HOURS WITH THE SUSPENDERS AT URBANA-CHAMPAIGN: THE MIDWEST THEORETICAL CHEMISTRY CONFERENCE
48 HOURS WITH THE SUSPENDERS AT URBANA-CHAMPAIGN: THE MIDWEST THEORETICAL CHEMISTRY CONFERENCE
On May 29th, The Suspenders went on a two-day journey to the 2013 Midwest Theoretical Chemistry Conference (MWTCC) in the University of Illinois at Urbana-Champaign (UIUC) to unveil the latest developments in Partition Density Functional Theory (PDFT) to the regional scientific community. Here is a quick overview of the adventure.Wednesday 2:00 PM
As soon as The Suspenders arrived and registered, they were taken on a Bus Tour to the National Petascale Computing Facility that houses Blue Waters, the sustained petaflops supercomputer hosted by the UIUC. This is one of the resources that the National Center for Supercomputing Applications (NCSA) offers to the Midwest and National scientific community. As Brett Bode, the Advanced Digital Services Division Director at the NCSA told The Suspenders, Blue Waters is the most powerful supercomputer hosted by a university in the world; it occupies the area of an average soccer field, was built using 81 miles of cabling (approximately the distance between West Lafayette, IN and Urbana-Champaign, IL), and sometimes it might need up to 12 megawatt of power to operate, which is about the same that 20,000 desktop computers need.5:30 PM
Following the Bus Tour, the poster session featured Daniel Jensen and Martín A. Mosquera.
Daniel’s poster presented Partition Time-dependent Density Functional Theory (PTDDFT), a fragment-based extension of Time-dependent Density Functional Theory (TDDFT) that supports parallel calculations and suggests new ways to compute the time-dependent properties of electronic systems. It also included a simple example showing how useful it is and how it leads naturally to efficient parallel calculations of the time-dependent properties of a system.
Martín’s poster was titled Partition Current Density Functional Theory (PCDFT), a development that shows that the total Time-dependent Current of isolated fragments is enough to determine the electromagnetic potential they are subject to, provided that the initial state is known.7:30 PM
The UIUC organizers had a Students and Post-docs Mixer planned for the night, where Martín and Carlos showed their skills on several funny games, like building the tallest spaghetti tower that could hold a marshmallow on its top, answering a 40-question trivia, or defying gravity by keeping two balloons on the air at the same time.
After the mixer, the outgoing Suspenders went to Legends, a traditional bar near the UIUC campus where they spent some time talking about many things but hard-science.Thursday 9:30 AM
After breakfast, the invited and contributed talks featured some of the most experienced researchers from the Midwest: Greg Voth, Steve Corcelli, John Herbert, and Arun Yethiraj, who discussed topics ranging from Molecular Dynamics to Electronic Structure methods.At 11:20 AM the audience was enlightened by our fellow Suspender Jonathan Nafziger, who gave a contributed talk showing that the delocalization and the static correlation errors that undermine the use of Density Functional methods for processes that involve bond breaking can be avoided by using PDFT. He illustrated the use of this new method through calculations on the dissociation of H2.7:30 PM
In the evening at the Banquet Dinner, Mark Ratner gave the Keynote Lecture where he talked about global warming, cutting edge materials for solar energy generation, and some of the late history of alcoholic beverages.After the lecture, professors So Hirata, Anne McCoy, and Arun Yethiraj presented the best posters and presentations. In one of the most memorable moments of the conference, our fellow suspender Martín A. Mosquera’s Partition Current Density Functional Theory was awarded with an Outstanding Poster mention.Friday 9:30 AM
The final day of the conference included the invited presentation of Prof. Chris Cramer on solvation models and Director Brett Bode on the technical and scientific aspects of Blue Waters, as an introduction to the tutorial that took place in the afternoon. When the talks were finished, there was a social hour and box lunches. The Suspenders left Urbana-Champaign soon after that, around 2:00 PM, running away from severe weather conditions.
As soon as The Suspenders arrived and registered, they were taken on a Bus Tour to the National Petascale Computing Facility that houses Blue Waters, the sustained petaflops supercomputer hosted by the UIUC. This is one of the resources that the National Center for Supercomputing Applications (NCSA) offers to the Midwest and National scientific community. As Brett Bode, the Advanced Digital Services Division Director at the NCSA told The Suspenders, Blue Waters is the most powerful supercomputer hosted by a university in the world; it occupies the area of an average soccer field, was built using 81 miles of cabling (approximately the distance between West Lafayette, IN and Urbana-Champaign, IL), and sometimes it might need up to 12 megawatt of power to operate, which is about the same that 20,000 desktop computers need.5:30 PM
Following the Bus Tour, the poster session featured Daniel Jensen and Martín A. Mosquera.
Daniel’s poster presented Partition Time-dependent Density Functional Theory (PTDDFT), a fragment-based extension of Time-dependent Density Functional Theory (TDDFT) that supports parallel calculations and suggests new ways to compute the time-dependent properties of electronic systems. It also included a simple example showing how useful it is and how it leads naturally to efficient parallel calculations of the time-dependent properties of a system.
Martín’s poster was titled Partition Current Density Functional Theory (PCDFT), a development that shows that the total Time-dependent Current of isolated fragments is enough to determine the electromagnetic potential they are subject to, provided that the initial state is known.7:30 PM
The UIUC organizers had a Students and Post-docs Mixer planned for the night, where Martín and Carlos showed their skills on several funny games, like building the tallest spaghetti tower that could hold a marshmallow on its top, answering a 40-question trivia, or defying gravity by keeping two balloons on the air at the same time.
After the mixer, the outgoing Suspenders went to Legends, a traditional bar near the UIUC campus where they spent some time talking about many things but hard-science.Thursday 9:30 AM
After breakfast, the invited and contributed talks featured some of the most experienced researchers from the Midwest: Greg Voth, Steve Corcelli, John Herbert, and Arun Yethiraj, who discussed topics ranging from Molecular Dynamics to Electronic Structure methods.At 11:20 AM the audience was enlightened by our fellow Suspender Jonathan Nafziger, who gave a contributed talk showing that the delocalization and the static correlation errors that undermine the use of Density Functional methods for processes that involve bond breaking can be avoided by using PDFT. He illustrated the use of this new method through calculations on the dissociation of H2.7:30 PM
In the evening at the Banquet Dinner, Mark Ratner gave the Keynote Lecture where he talked about global warming, cutting edge materials for solar energy generation, and some of the late history of alcoholic beverages.After the lecture, professors So Hirata, Anne McCoy, and Arun Yethiraj presented the best posters and presentations. In one of the most memorable moments of the conference, our fellow suspender Martín A. Mosquera’s Partition Current Density Functional Theory was awarded with an Outstanding Poster mention.Friday 9:30 AM
The final day of the conference included the invited presentation of Prof. Chris Cramer on solvation models and Director Brett Bode on the technical and scientific aspects of Blue Waters, as an introduction to the tutorial that took place in the afternoon. When the talks were finished, there was a social hour and box lunches. The Suspenders left Urbana-Champaign soon after that, around 2:00 PM, running away from severe weather conditions.
MARTÍN WINS OUTSTANDING POSTER AWARD
MARTÍN WINS OUTSTANDING POSTER AWARD
Martín Mosquera received an outstanding poster award for his work entitled "Partition Current Density Functional Theory". The prize, sponsored by the Journal of Physical Chemistry, was awarded by Profs. So Hirata and Anne McCoy during the 2013 Midwest Theoretical Chemistry Conference that took place May 29-31 2013 at the University of Illinois in Urbana-Champaign.