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1. Bigger the Better is not Always True: Exploring Size Effect on Chemical Reaction Times

   Teaching Materials | 02 Jan 2020 | Contributor(s):: Kay Sheets, NNCI Nano

   Many physical characteristics effect how matter reacts with other matter.  Size does matter.  This lesson will explore the reaction time of different size grains of salt when added to soda water. The objective is to determine if surface area affects reactivity time.

2. PVRD-FASP

   Downloads | 02 Apr 2019 | Contributor(s):: Abdul Rawoof Shaik, Daniel Brinkman', Christian Ringhofer, Igor Sankin, Bedrich Benes, Dmitry Krasikov, Hao Kang, Dragica Vasileska

   We introduce a simulator for modeling transport of charge carriers and electrically active defect centers in solar cells by treating them on an equal footing.  The details about the solver’s graphical user interface along with numerical algorithms employed are described. The exact...

3. Computer Modeling Module: Chemical Reaction Simulation using SIESTA

   Teaching Materials | 23 Aug 2017 | Contributor(s):: Lan Li

   This activity guides students through a module using the SIESTA DFT tool that is housed within the MIT Atomic Scale Modeling Toolkit on nanoHUB. Instructional videos, background reading, reminders and the assignment are included. Learning outcomes: Get familiar with SIESTA tool and activation...