Molecular Modeling and Simulation of Complex Molecules | AIChE

Molecular Modeling and Simulation of Complex Molecules

Chair(s)

Santiso, E. E., Massachusetts Institute of Technology

Co-chair(s)

Ismail, A. E., Sandia National Laboratories

We invite papers presenting computational investigations of large-scale molecules (highly functionalized polymers, biomolecules, aromatics, etc.). Contributions at the quantum, atomistic, or coarse-grained length scales are all acceptable. Papers showing direct comparisons to experimental measurements or theoretical predictions are especially encouraged.

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Non-Members $225.00