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Chemistry and Materials with the Amsterdam Modeling Suite
19 Apr 2023 | | Contributor(s):: Nicolas Onofrio
In this talk, I will give an overview of the Amsterdam Modeling Suite to perform atomistic simulations at various levels of theory.
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Chemistry of Molecular Monolayers
09 Jul 2003 | | Contributor(s):: David Allara
Chemistry of Molecular Monolayers
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CHM 696 Lecture 11: Optical Properties of Metal Nanoparticles and Nanoparticle Assemblies I
03 May 2011 | | Contributor(s):: Alexander Wei
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CHM 696 Lecture 12: Optical Properties of Metal Nanoparticles and Nanoparticle Assemblies II
05 May 2011 | | Contributor(s):: Alexander Wei
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CHM 696 Lecture 13: Optical Properties of Metal Nanoparticles and Nanoparticle Assemblies III
02 Jun 2011 | | Contributor(s):: Alexander Wei
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CHM 696 Lecture 14: Semiconductor Nanoparticles, Nanorods, and Nanowires: Properties and Applications I
02 Jun 2011 | | Contributor(s):: Alexander Wei
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CHM 696 Lecture 15: Semiconductor Nanoparticles, Nanorods, and Nanowires: Properties and Applications II
02 Jun 2011 | | Contributor(s):: Alexander Wei
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Chris Jones
https://nanohub.org/members/221455
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Citrine Tools for Materials Informatics
02 Dec 2019 | | Contributor(s):: Juan Carlos Verduzco Gastelum, Alejandro Strachan
Jupyter notebooks for sequential learning in the context of materials design. Run your own models, explore various methods and adapt the notebooks to your needs.
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CNDO/INDO
09 Oct 2007 | | Contributor(s):: Baudilio Tejerina, Jeff Reimers
Semi-empirical Molecular Orbital calculations.
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CNTbands
14 Dec 2006 | | Contributor(s):: Gyungseon Seol, Youngki Yoon, James K Fodor, Jing Guo, Akira Matsudaira, Diego Kienle, Gengchiau Liang, Gerhard Klimeck, Mark Lundstrom, Ahmed Ibrahim Saeed
This tool simulates E-k and DOS of CNTs and graphene nanoribbons.
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CNTbands: First-Time User Guide
14 Jun 2009 | | Contributor(s):: Xufeng Wang, Youngki Yoon
This is a simple guide designed for first-time users of CNTbands. It gives a brief introduction of the tool and a series of tutorials to help users learn the basics of CNTbands.NCN@Purdue
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CNTphonons
30 May 2006 | | Contributor(s):: Marcelo Kuroda, Salvador Barraza-Lopez, J. P. Leburton
Calculates the phonon band structure of carbon nanotubes using the force constant method.
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Coextrusion of Multilayer Polymer Sheets
16 May 2019 | | Contributor(s):: Adam Powell
Sketch the flow profile of a multilayer polymer flow through an extrusion die and beyond it, and predict the final layer thickness distribution.
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Colorful and Smart Nanoscale Materials
28 Jan 2022 | | Contributor(s):: Yadong Yin, The Micro Nano Technology - Education Center
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Common Materials for Uncommon Microsystems
15 Dec 2016 | | Contributor(s):: Babak Ziaie
2016 Adams Lecture, Mechanical Engineering, Purdue University
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Comparison of strain relaxation in epitaxial Si0.3Ge0.7 films grown on Si(001) and Ge(001)
07 Oct 2011 | | Contributor(s):: Brian Demczyk, R. Naik, G. Auner, C. Kota, U. Rao
Surface and interfacial strain have been computed for SiGe thin films grown by UHVCVD,based on measurements via transmission electron microscopy and Raman spectroscopy.
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Complex Oxides and the Philosopher’s Stone
25 May 2016 | | Contributor(s):: Shiram Ramanathan
In this talk I will discuss the topic of insulator-metal transitions in strongly correlated oxides, their control via disorder, orbital occupancy and electric fields and challenges these systems pose to our contemporary understanding of emergent phenomena in ionic lattices.
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Computational Investigation of Point Defect Formation and Migration in Nuclear Fuels
09 Feb 2012 | | Contributor(s):: Susan Sinnott
The stabilities of selected fission products are investigated as a function of stoichiometry in uranium oxide. The approach is density functional theory (DFT) that is used to calculate the incorporation and solution energies of solid and gaseous fission products at the anion and cation vacancy...
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Computational Labs in Kinetics of Materials and Process Design (California Polytechnic State University)
07 Sep 2020 | | Contributor(s):: Mohsen B Kivy, Crystal Ipong
Kinetics of Materials and Process Design (MATE 370) is a 4-unit major course for junior-year undergraduate students of the Materials Engineering Department, Cal Poly State University. The Materials Engineering Department endorses the applications of theory to practice through its...