Congratulations, Dr. Matt Epplin!

On December 20th, 2018, Matt Epplin successfully defended his thesis, “The Design, Synthesis, and Biological Evaluation of Subunit-Selective Modulators of the N-Methyl-D-Aspartate Receptor”. Matt’s thesis committee included his advisor, Dr. Dennis Liotta and members Dr. Frank McDonald, Dr. David Lynn, and Dr. Stephen Traynelis.

During his time at Emory, he developed chemical tools for NMDA towards understanding neuropsychiatric disease. Now, Matt is looking forward to starting his postdoc at Stanford with Dr. Noah Burns.

Congratulations, Dr. Epplin!

Francesco Evangelista Receives Grant for Quantum Information Science Research

The U.S Department of Energy (DOE) recently announced $218M in funding for research in the emerging field of Quantum Information Science.

Francesco Evangelista, recipient of the 2017 Dirac Medal and the 2018 Camille Dreyfus Teacher-Scholar Award, is the lead PI for $3.9M of this funding for his research on “Quantum Chemistry for Quantum Computers.” The award is the first that Emory has received to study quantum computing.

The Quantum Information Science program seeks to lay the foundation for future innovation in the realm of computing and information processing. The awards, made in conjunction with the White House Summit on Advancing American Leadership in Quantum Information Science, are led by scientists at 28 higher learning institutes and 9 DOE national laboratories. Research funded by the awards will span a range of topics from the new generation of quantum computers to using quantum computing for understanding cosmic phenomena.

The abstract for Dr. Evangelista’s “Quantum Chemistry for Quantum Computers” appears below:

“Over the past fifty years, quantum chemistry has had a transformative impact on chemistry and materials science by enabling the computational prediction of properties and reactivity of molecules and materials. Two factors have made this success possible: the development of efficient theories of electronic structure and the steady growth of computing power. Nevertheless, quantum chemistry methods are currently unable to tackle strongly correlated molecules and materials, owing to the exponential complexity of the fundamental physics of these systems. Quantum computers manipulate information using quantum mechanical principles and offer a solution to this problem. With the rapid development of quantum computing hardware and algorithms, there is a realistic expectation that quantum computers will outperform their classical counterparts within the next decade. However, the first generation of quantum computers is unlikely to have a transformative impact on chemistry and materials science unless their power is leveraged by combining them with new algorithms specifically designed to take advantage of quantum hardware. The objective of this research is to create the next generation of quantum chemistry methods for strongly correlated molecules and solids that will run on the first generation of quantum computers. This research will also develop standard benchmarks for testing the accuracy and computing power of new quantum hardware and will validate prototypes of quantum computers in collaborations with industry partners. More generally, this project paves the way to applications of quantum computers to study challenging strongly correlated systems critical to the mission of the DOE such as transition metal catalysts, high-temperature superconductors, and novel materials that are beyond the realm of classical simulation.”

Congratulations, Dr. Evangelista!

Check out the video to learn more about the amazing research happening in the Evangelista lab!

Dennis Liotta Receives Honorary Doctorate from the University of Ottawa

Congratulations to Dr. Dennis Liotta for receiving an honorary Doctor of Science degree from the University of Ottawa. Honorary doctorate degrees acknowledge the value of the abilities and experiences of the recipient and are awarded for significant contributions made by the recipient to the University of Ottawa, their profession, or society. Upon receiving the honorary degree, Dr. Dennis Liotta delivered a speech to the graduating class of the University.

“We can’t afford to sit and wait for others to change the world — we have to do it ourselves. The good news is that we all have the capacity to make the world a better place. All that is required is that we be proactive and persistent on an issue or cause that we’re passionate about. So, this is my challenge to all of you here today. Examine your own lives, identify a problem compatible with your skills and pursue it. If it’s something you’re passionate about and you’re willing to persevere, I guarantee you that you’ll find a way of doing it well. Remember, however, that this is marathon, not a sprint. So, don’t ever lose sight of your goals and your dreams.”

Click [here] to read the whole speech.

Congratulations, Dr. Liotta!

Congratulations, Dr. Lara Patel!

On Monday, July 16th, Lara Patel successfully defended her thesis, “Changes in state: From phase transitions to nucleation and aggregation”. Lara’s thesis committee included her thesis advisor, Dr. James Kindt, and members Dr. Joel Bowman and Dr. Francesco Evangelista.

During her time at Emory, Lara contributed to the publication of four manuscripts:

1.  Patel, L. A.; Kindt J. T., Simulations of NaCl aggregation from solution: Solvent determines topography of free energy landscape. J. Chem. Theory Comput. 2018. (Submitted)

2. Zhang, X.; Patel, L. A.; Beckwith, O.; Schneider, R.; Weeden, C.; Kindt, J. T., Extracting aggregation free energies of mixed clusters from simulations of small systems: Application to ionic surfactant micelles. J. Chem. Theory Comput., 2017, 13 (11), 5195–5206. (DOI: 10.1021/acs.jctc.7b00671)

3. Patel, L. A.; Kindt, J. T., Cluster free energies from simple simulations of small numbers of aggregants: Nucleation of liquid MTBE from vapor and aqueous phases. J. Chem. Theory Comput., 2017, 13 (3), 1023–1033. (DOI: 10.1021/acs.jctc.6b01237)

4. Patel, L. A.; Kindt, J. T., Coarse grained molecular simulations of DPPC vesicle melting. Soft Matter, 2016, 12, 1765-1777. (DOI: 10.1039/C5SM02560E)

Congratulations, Dr. Patel!

Congratulations, Dr. Morgan Vaughn!

On Wednesday, July 18th, Morgan Vaughn successfully defended her thesis, “Enzyme Dynamics Elucidated via Temperature Jump Fluorescence Spectroscopy”. Morgan’s thesis committee included her thesis advisor, Dr. Brian Dyer, and members Dr. Stefan Lutz and Dr. Vincent Conticello.

During her time at Emory, Morgan was awarded a Dean’s Teaching Fellowship and was selected as an ARCS Scholar. In addition, she served for a year and a half as the president of Emory’s graduate chapter of the Association for Women in Science (AWIS) and is the proud author of a JACS Communications paper that was featured in JACS Spotlights.

Looking forward, Morgan plans to pursue a career in facilitating science communication in the classroom, to the general public, and/or among scientists.

Congratulations, Dr. Vaughn!

Victor Ma Selected to Participate in the 2018 CAS SciFinder® Future Leaders Program

Victor Pui-Yan Ma, a rising 5th year graduate student in the lab of Dr. Salaita, has been chosen to participate in the 2018 CAS SciFinder® Future Leaders Program.

According to their website, “The CAS SciFinder Future Leaders program aims to expand professional networks among emerging researchers, increase knowledge and exchange ideas about the role of information within the research process, and share lessons from industry and academic leaders about the role of science in the global economy, academia and the media.”

Selected from hundreds of applicants, Victor will join 30 other outstanding Ph.D. students and postdocs from around the world during a visit to the CAS headquarters in Columbus, Ohio in August. During their visit, the researchers will collaborate on new initiatives to shape the future of scientific information and innovation.

Congratulations, Victor!

To read the full announcement, click [here]!