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Computational Discovery of Next-Generation Materials and Chemicals

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Category Archives: NCSU

Dr. Santiso receives Sigma Xi Young Faculty Research Award

Posted on April 25, 2017 by eesantis

On Wednesday, April 19, Dr. Santiso received the Young Faculty Research Award from the NCSU chapter of Sigma Xi. Sigma Xi, The Scientific Research Society, is a non-profit honor society dedicated to research excellence. The award recognizes “early career faculty Continue reading Dr. Santiso receives Sigma Xi Young Faculty Research Award→

Posted in NCSU

Paper on Rebaudioside-A is JCP Editor’s Choice for 2016

Posted on March 31, 2017 by eesantis

Our article “On the Connection Between Monotonic Taste Behavior and Molecular Conformation in Solution: The Case of Rebaudioside-A” has been selected as a Journal of Chemical Physics Editors’ Choice article for 2016. Rebaudioside-A (Reb-A), a zero-calorie sweetener extracted from the leaves Continue reading Paper on Rebaudioside-A is JCP Editor’s Choice for 2016→

Posted in NCSU

Scientific and Technical Computing Textbook Available Now

Posted on March 31, 2017 by eesantis

“Introduction to Scientific and Technical Computing” is a practical textbook covering the information needed for scientists and engineers interested in scientific computing. The book covers the basics of Unix-based operating systems, bash scripting, debugging with gdb, using git for version Continue reading Scientific and Technical Computing Textbook Available Now→

Posted in NCSU

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  • Dr. Santiso receives Sigma Xi Young Faculty Research Award
  • Paper on Rebaudioside-A is JCP Editor’s Choice for 2016
  • Scientific and Technical Computing Textbook Available Now
  • Adsorption and Activated Processes
  • Contact Angles from Molecular Dynamics
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