DOE researchers design algorithms that model a million atoms and probe the detailed chemical behavior of materials.
Oak Ridge National Laboratory-University of Tennessee team hopes to ease the path from vegetation to biofuel.
Modeling self-assembling nanowires with curious electronic properties.
Berkeley Lab prepares for quantum-classical computing future.
Casper code helps move data invisibly.
A Princeton University group is working out water’s molecular mysteries.
Computational models search for economical ways to convert lignocellulose, the woody material in plant stems and leaves, into ethanol fuel.
Computer models get a grip on a soapy subject.