March 2018
Protein shape-sifting
Rice University team computes protein conformations for paths around autoimmunity.
Category Archives: Chemistry
August 2017
Matter in motion
DOE researchers design algorithms that model a million atoms and probe the detailed chemical behavior of materials.
September 2016
Untangling plant polymers
Oak Ridge National Laboratory-University of Tennessee team hopes to ease the path from vegetation to biofuel.
June 2016
Super wires
Modeling self-assembling nanowires with curious electronic properties.
June 2016
High-performing hybrid
Berkeley Lab prepares for quantum-classical computing future.
March 2016
Ghost writer
Casper code helps move data invisibly.
November 2013
Watery wonder
A Princeton University group is working out water’s molecular mysteries.
March 2011
Fiber into fuel
Computational models search for economical ways to convert lignocellulose, the woody material in plant stems and leaves, into ethanol fuel.
November 2009
Slick solution
Computer models get a grip on a soapy subject.