News

Peyman Givi, developer of the Filtered Density Function (FDF) used in very high fidelity numerical simulation of chemically reactive flow fields, will co-chair a mini symposium on the subject at the 17th International Conference on Numerical Combustion (NC19) in Aachen, Germany from May 6-8, 2019. The mini symposium “Filtered Density Function Methods for Turbulent Reactive Flows” will include 60 participants and 28 presented papers. According to Dr. Givi, participants will learn the latest developments and innovations in enhancing the computational and predictive capabilities of the FDF methodology.

Sangyeop Lee is co-author of a recent article, “Survey of ab initio phonon thermal transport” in Materials Today Physics (vol. 7, 2018, pp. 106-120, DOI 10.1016/j.mtphys.2018.11.008). This article provides a comprehensive survey of first-principles Peierls-Boltzmann thermal transport as developed in the literature over the last decade, with particular focus on more recent advances. This review will demonstrate the wide variety of calculations accessible to first-principles transport methods (including dimensionality, pressure, and defects), highlight unusual properties and predictions that have been made, and discuss some challenges and behaviors that lie beyond.

Dr. Lee, who joined Pitt in 2015, studies nanoscale thermal transport in solid materials, and his research is currently focused on hydrodynamic phonon transport in graphitic materials and thermal transport in fully or partially disordered phase. His group utilizes Boltzmann transport theory, Green's function method, and molecular dynamics simulation, all of which use interatomic force constants calculated from density functional theory. He earned his BS and MS in mechanical and aerospace engineering from the Korea Advanced Institute of Science and Technology, and PhD in mechanical engineering from MIT. 

Written by Paul Kovach. 

Read more here. 

To advance the understanding of micro- and nano-surfaces and to engineer more stable nanoparticles, the National Science Foundation has awarded the University of Pittsburgh’s Tevis Jacobs a $500,000 CAREER Award, which supports early-career faculty who have the potential to serve as academic role models in research and education and to lead advances in the mission of their department or organization. Dr. Jacobs, assistant professor of mechanical engineering and materials science at Pitt’s Swanson School of Engineering, will utilize electron microscopy to directly study and measure adhesion properties of nanoparticles and their supporting substrates.

Dr. Jacobs noted that current processes to counter nanoparticle coarsening utilize stabilizing materials, but matching the most effective stabilizer to a nanoparticle is a time-consuming and costly trial-and-error process. The CAREER award will enable Dr. Jacobs and his lab group to develop new methods to measure the attachment and stability of nanoparticles on surfaces under various conditions, allowing researchers to enhance both surfaces and nanoparticles in tandem to work more effectively together.

Written by Paul Kovach.

Read more here. 

Hrvoje Petek, R.K. Mellon Professor in the Department of Physics and Astronomy, has received the Ahmed Zewali Award in Ultrafast Science & Technology from the American Chemical Society. Petek will be honored during an awards ceremony April 2 during the 257th ACS national meeting in Orlando.

Prof. Daniel Lambrecht has been selected to receive a 2019 Chancellor's Distinguished Teaching Award. The Chancellor's Distinguished Teaching Award recognizes teaching excellence by members of the University of Pittsburgh's faculty. Teaching is defined broadly and includes all activities that faculty members engage in to facilitate learning by undergraduate, professional, or graduate students: lecturing; clinical teaching; conducting seminars, tutorials, or recitations; etc. This award consists of a cash prize to the faculty member and a grant to support the faculty member's teaching activities. Daniel will be publicly recognized at the 2019 Honors Convocation.

Read more here. 

The latest study by Lillian Chong and Ali Saglam in her group demonstrated the power of the weighted ensemble (WE) strategy in enabling explicit-solvent MD simulation of a protein–protein binding process.(Click here for the protein-protein binding simulation video) Their results provide a number of insights regarding the binding mechanism that cannot be obtained by laboratory experiments.

The research by Lillian Chong group appeared in the Royal Society of Chemistry journal Chemical Science (DOI: 10.1039/C8SC04811H). The WE strategy and others like it have great promise in providing insights involving binding kinetics for a variety of research areas, including biophysics, catalysis, protein engineering, and material design.

Peng Liu has been awarded a five-year Maximizing Investigators' Research Award (MIRA) grant from the National Institutes of Health (NIH). The five-year, $1.8 million grant will support Peng group's research in developing quantum mechanics based computational tools to study organic and organometallic reactions. They study how reactions occur, factors controlling rates and selectivity, and provide theoretical insights to help develop improved catalysts and reagents.

Nathaniel Rosi is included on the list of the Clarivate Analytics website that “recognizes world-class researchers selected for their exceptional research performance, demonstrated by production of multiple highly cited papers that rank in the top 1% by citations for field and year in Web of Science”. This is the third consecutive year that Dr. Rosi has been included on this list. The Highly Cited Researchers list from Clarivate Analytics identifies scientists and social scientists who have demonstrated significant influence through publication of multiple highly cited papers during the last decade.