Computational Sciences & Bioinformatics
PNNL's innovations in the computational sciences result in tools that allow scientists to understand data in real time using high-performance, data-intensive computing. Our leading-edge capabilities in informatics, modeling, and simulation enable scientific discoveries that lead to solutions in
Climate Science: Reliable predictions of climate change at the regional scale, including ecological and biogeochemical feedbacks, can provide data to support policy decisions and predict extreme weather conditions arising from a changing climate.
Computational Biology: Understanding the molecular processes that provide the mechanism for cells and organisms to adjust to changing conditions and to take advantage of available energy sources can facilitate the design of innovative approaches to bioremediation, energy production, and climate management.
Computational Chemistry: Reliable prediction of the structures, energetics, and reactions of molecules, especially the large molecules involved in nanoscience, catalysis, and energy and environmental science, can lead to the control of chemical processes responsible for producing energy and pollutants released by engines; the prediction and mitigation of pollutants in underground plumes and long-term effects of greenhouse gases and stratospheric ozone depletion; and the control of processing high-level radioactive wastes.
Computational Materials Science: Development of systematic approaches based on sound theoretical models that integrate across many length- and time-scales to understand materials properties provides a foundation for the design of materials with specified properties from first principles.
Related Technologies & Applications
Contact: TP Straatsma