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Prof. D. Crawford Featured in C&E News
(Sept. 2, 2014) Recent NSF-funded work by Prof. Daniel Crawford
and his colleague, Dr. Benjamin Pritchard, in reducing the redundancy of developing software for quantum chemical calculations is featured in the recent issue of C&E News (8/25/14). Crawford, Pritchard, and their collaborators from Georgia Tech (C.D. Sherrill and E. Chow) are leading “Quantum Chemistry’s Modular Movement” via their research on the PANACHE (PArallel Numerical Approximations in CHemistry Engine) library, which is designed to accelerate the writing of new code for quantum chemical calculations. The work is also directly connected to Crawford’s NSF-supported efforts to develop a Software Institute for chemistry, materials science, and bimolecular simulation (www.s2i2.org
). Their work could enable chemists to eventually “pick and choose components when building software.” Read the full story here
Prof. Ed Valeev Receives Quantum Molecular Sciences Award
(August, 2014) Prof. Edward Valeev is the 2014 recipient of the Medal of the International Academy of Quantum Molecular Sciences (IAQMS
). The Academy membership consists of some of the most important scientists in the field worldwide and has included such famous quantum theorists such as John Pople, Robert Mulliken, Louis de Broglie, Erich Hückel, Linus Pauling, and Friedrich Hund. The Medal of the Academy is awarded annually to a "young member of the scientific community who has distinguished himself by a pioneering and important contribution.” Valeev's selection as this year’s winner puts him in a truly elite group of scientists that includes Roald Hoffmann, Bill Miller, and more
. Congratulations Prof. Valeev!
Prof. A. Morris to Discuss Hydrogen Vehicles at Nat'l ACS Meeting
(August 6, 2014) In her role as an “ACS Expert in Sustainable Energy,” Prof. Amanda Morris will be one of three national experts taking part in a press conference at the ACS National Meeting in San Francisco to discuss Toyota’s first hydrogen fuel-cell electric vehicle—as well as the small-series production of hydrogen fueling stations, which are essential for this new transportation technology. The press conference will be held Monday, August 11, at 9 AM PST in the Moscone Center, North Building. Interested parties can access a live video of the event at the ACS Ustream channel
. For more information about this press conference, check out the ACS article here
Fabijan Pavosevic Earns Best Poster Honors
(July 28, 2014) Fabijan Pavosevic
, a third-year graduate student with Prof. Edward Valeev
, won the Best Student Poster Award
for presenting his work on the development of an accurate quantum chemistry methodology applicable to large systems at the 45th Southeastern Theoretical Chemistry Association (SETCA) conference, which was held at Emory University in Atlanta earlier this year. His poster was selected as the top entry from among more than 70 student posters!