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2010 NCN@Purdue Summer School: Electronics from the Bottom Up
Workshops | 18 Jan 2011
Electronics from the Bottom Up seeks to bring a new perspective to electronic devices – one that is designed to help realize the opportunities that nanotechnology presents.
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2016 Summer School for Integrated Computational Materials Education
Workshops | 17 Jan 2017 | Contributor(s):: Katsuyo Thornton
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3 min Research Talk: AFM And EBSD Cross-Comparison Analysis Tool
Online Presentations | 31 Jan 2019 | Contributor(s):: Andrew Martin Krawec
This talk describes an approach to analyzing the crystal structure using data collected from AFM and EBSD scans to build an accurate image of the crystal structure and orientation in the ceramic
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3 min Research Talk: Analysis of Radiation Induced Segregation in Fe-Cr-Al Alloys
Online Presentations | 31 Jan 2019 | Contributor(s):: Timothy Joe Pownell
This presentation gives an overview of the results and tool that were developed from data on Radiation Induced Segregation of the prospective cladding material Fe-Cr-Al.
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3 min Research Talk: Hierarchical Material Optimization using Neural Networks
Online Presentations | 29 Oct 2019 | Contributor(s):: Miguel Arcilla Cuaycong
In this presentation, we sought to use a neural network (NN) to identify optimal arrangements of four different constituents in a tape spring to be used as snapping mechanisms in phase transforming cellular material that can dissipate energy.
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3 min Research Talk: Predicting and Optimizing Solar Cell Performance with Material/Surface Characteristics
Online Presentations | 31 Jan 2019 | Contributor(s):: Yiheng Zhu
Photovoltaic simulation tools can be utilized to predict device performance before fabrication and experimentation, streamline research processes, and interpret experimental results. Therefore, we developed ContourPV, which simulates various combinations of values of different device...
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3 min. Research Talk: Identifying the Dimensionality of Crystal Structures
Online Presentations | 12 Feb 2020 | Contributor(s):: Franco Vera
Today, researchers worldwide have identified over 100,000 distinct bulk materials. The underlying dimensionality of these materials is not always clear however, and as such researchers have sought to identify stable, lower dimensional materials derived from the bulk parent structures. A team of...
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books on computational material science
Q&A|Closed | Responses: 5
which book is good for computational material science?
Kindly suggest me which are all to be referred for computational material science.
https://nanohub.org/answers/question/569
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A Condensed Matter Physics class and a Course-Based Undergraduate Research Experience (CURE) with the MIT Atomic-Scale Modeling Toolkit
Online Presentations | 07 Nov 2022 | Contributor(s):: David Strubbe
In this presentation, Dr. Strubbe will discuss how he has been using the MIT Atomic-Scale Modeling Toolkit as a part of his undergraduate and graduate class on condensed matter physics. In discussion sections, simulations are performed to illustrate concepts like covalent bonding,...
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ab initio simulations with ORCA
Tools | 28 Jul 2015 | Contributor(s):: nicolas onofrio, Alejandro Strachan
ab initio and density functional theory calculations dedicated to molecular systems
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ABINIT
Tools | 13 May 2004 | Contributor(s):: Amritanshu Palaria, Xufeng Wang, Benjamin P Haley, Matteo Mannino, Gerhard Klimeck
Run the community code ABINIT for electronic structure calculations under density functional theory through a convenient graphical user interface
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Adam Powell
Adam Powell is an Associate Professor in the Mechanical Engineering department at WPI. Research interest: using materials processing, particularly the tools of electrochemistry and process...
https://nanohub.org/members/34510
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Additional Tutorials on Selected Topics in Nanotechnology
Workshops | 23 Mar 2011 | Contributor(s):: Gerhard Klimeck, Umesh V. Waghmare, Timothy S Fisher, N. S. Vidhyadhiraja
Select tutorials in nanotechnology, a part of the 2010 NCN@Purdue Summer School: Electronics from the Bottom Up.
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Adsorption Energy Calculator
Tools | 18 Aug 2019 | Contributor(s):: Julian C Umeh, Thomas A Manz
Calculate the total energy of adsorbates as they move around a metal organic framework
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AIDA: A tool for exhaustive enumeration of solutions to the quantized Frank-Bilby equation
Downloads | 05 Jan 2018 | Contributor(s):: Ali Sangghaleh, Michael J. Demkowicz
We present a tool called Arrangement of Interface Dislocation Arrays (AIDA) for enumerating all dislocation networks that satisfy the quantized Frank-Bilby equation for any interface between cubic crystals with a single-atom basis, i.e. FCC/FCC, BCC/BCC, and FCC/BCC interfaces. The set of...
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Akshat Saraf
Chemistry PhD Student at Georg August Universität GöttingenUsing computational chemistry to better inform electrochemical experiments
https://nanohub.org/members/190860
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An Introduction to Finite Element Analysis of Material Microstructure Properties in nanoHUB
Online Presentations | 14 Sep 2023 | Contributor(s):: Yang Dan
In this webinar, Yang will give a brief introduction to the fundamentals of FEA and OOF2, and demonstrate OOF2 simulations of stress distribution in example materials, with and without temperature effect.
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Andrés Felipe Sierra
BSc Chemical Engineering & Data Scientist. Materials Science and Nanotech enthusiasm.
https://nanohub.org/members/344047
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Angelo Giovanni Oñate Soto
Angelo Oñate Soto is a member of the Department of Mechanical Engineering of the Universidad del Bío Bío. He is a Mechanical Engineer and has a degree in Engineering Sciences from the Universidad...
https://nanohub.org/members/280252
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Anter A El-azab
Dr. El-Azab is a professor of Materials Science and Engineering at Purdue University. His research interests are in the broad area of microstructure science. His current research includes mesoscale...
https://nanohub.org/members/186519