Transferable, Quantum-Based Reactive Potentials for Simulating CHON Species: A Bridge Between ab initio Calculations and Condensed-Phase Reactive Dynamics.
2 Heuristics for Process Synthesis
Design process Bo Hu John Nieber. Outline Steps in Design Process Creation Heuristics in Process Design.
Chemistry 18.1
Physics LOI for NEDA
DL_POLY: Software and Applications I.T. Todorov & W. Smith ARC Group & CC Group CSED, STFC Daresbury Laboratory, Daresbury Warrington WA4 1EP, Cheshire,
Younan Xia (NSF Award Number: DMR-0451788) Department of Chemistry, University of Washington Silver nanostructures are containers for surface plasmons.
Younan Xia (NSF Award Number: DMR-0451788) Department of Chemistry, University of Washington
High Dimensional Dynamical Systems: Theory and Computational Realisation for Molecular Dynamics
H. Waalkens, A. Burbanks, R. Schubert, S. Wiggins School of Mathematics University of Bristol High Dimensional Dynamical Systems: Theory and Computational.
Heuristics for Process Synthesis
