Jakowski named an EMSL visiting scientist

Released: March 10, 2015
Enhancing mesoscale computational capabilities in NWChem
Jacek Jakowski

Jacek Jakowski has been selected as a 2015 EMSL Wiley Visiting Scientist. Jakowski is a computational scientist at the Oak Ridge National Laboratory Joint Institute for Computational Sciences and the University of Tennessee, Knoxville, National Institute of Computational Sciences.

While at EMSL, Jakowski will work with EMSL scientists Edo Apra and Niri Govind to develop a pilot implementation of density functional tight binding, or DFTB, in NWChem, an open-source computational chemistry software suite developed at EMSL. Additionally, Jakowski will work with Apra and Govind to develop a long-term plan for a complete implementation of DFTB within NWChem to provide a unique computational capability suitable for large-scale atomistic simulations relevant to all EMSL Science Theme areas.

Wiley Visiting Scientists actively contribute to the success of EMSL as a user facility, including support of EMSL and the user program beyond their own specific research projects. They interact with the EMSL scientific leadership team and provide input to EMSL strategic planning and implementation.

Jakowski’s background is in computational chemistry and materials science. A leader in DFTB development in the U.S., Jakowski recently developed a massively parallel computational capability based on the DFTB approach to tackle large scale dynamics of energy materials under diverse environmental conditions. He holds doctorate and master’s degrees in theoretical chemistry from the University of Warsaw.