Computational Molecular Engineering

Molecular Simulations of Surfactants, Lipids, and Polymers

Archived Webinar
Jan 20, 2016
Explore the growing power of molecular simulations to address a variety of problems. In 60 minutes, you’ll delve into the basics of molecular simulations and see examples of their applications to...

Molecular Simulations Of Ionic Liquids

Conference Presentation
AIChE Annual Meeting
November 5, 2013
Molecular Simulations of Ionic Liquids. The complexity of interactions and diversity of combinations between cations and anions of have resulted in...

Computational Protein Engineering

October
2017
SBE Special Section
Robert Pantazes
Proteins could transform the chemical process industries if they could be engineered to facilitate the production of biofuels, molecular medicines, and other specialty chemicals. This reality is nearing as expanded knowledge of proteins and improvements in computational tools are making it possible to design specific protein structures and functions.

SBE Special Section: Biomolecular Engineering (full 34-page section)

October
2017
SBE Special Section
SBE Update: The Many Applications of Biomolecular Engineering; A Materials Approach to Vaccines as Therapies; Engineering Cancer-Fighting T Cells; There's Plenty of Room at the Botton of a Cell; Computational Protein Engineering; Plant Metabolic Engineering for Chemicals, Fuels, and Precursors

AIChE Journal Highlight: A High-Throughput Approach to Designing Materials

November
2016
Journal Highlight
In the November AIChE Journal Perspective article, “High-Throughput Methods Using Composition and Structure Spread Libraries,” John Kitchin and Andrew Gellman of Carnegie Mellon Univ. discuss a method to more efficiently map material properties across composition, structure, and environmental conditions.
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