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Consortium for Computational Physics and Chemistry

A research collaboration of national laboratories for the U.S. DOE Bioenergy Technologies Office

New: Bioenergy Technologies Office High Performance Computing on Summit available for national laboratory users (see user call).

Fuel properties based on chemical structure

Identification of new performance-advantaged fuels is an integral step for next generation engines and fuel standards. However, a bottleneck in the fuel development cycle occurs the experimental screening of standardized fuel properties (RON, sooting index, etc). Our modeling team has developed a rapid screening tool that determines fuel properties in silico (for instance, Yield Sooting Index). Our work provides a blueprint for the design of oxygenated fuels which minimize the production of soot in low oxygen environments as well as allowing tailoring of the ignition properties.



The CCPC is an enabling project in the ChemCatBio consortium


ChemCatBio is part of DOE’s Energy Materials Network


Feedstock-Conversion Interface Consortium


Bioprocessing Separations Consortium

U.S. DOE Bioenergy Technologies Office

Billion Ton Report
2016 Billion-Ton Report: Advancing Domestic Resources for a Thriving Bioeconomy

NREL Thermal and Catalytic Process Development Unit
Home to thermochemical reactors and pilot plants that CCPC models

PNNL Bioproducts, Sciences, and Engineering Laboratory
Home to upgrading reactors and pilot plants that CCPC models

Open source code and tools

Computational models and functions developed by consortium members.

Surface Phase Explorer
Create interactive and downloadable surface phase diagrams from ab initio data.