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Electronic and Thermoelectric Characterization of Materials from Ab Initio Calculations
15 Aug 2017 | Presentation Materials | Contributor(s): Gustavo Javier-Rico, David M Guzman, Austin Jacob Zadoks, Alejandro Strachan
We present the Optimized Workflow for Electronic and Thermoelectric Properties (OWETP) python notebook, which uses Density Functional Theory (DFT) as implemented in the Quantum Espresso code for...
Analytical Solution of Microbes Interacting with Surfaces
14 Aug 2017 | Presentation Materials | Contributor(s): Junyuan Li, Vaseem Shaik, Arezoo Ardekani
The biological or medical related problems are among the most heated topics in scientific field. There is a rising interest in studying the behavior of microbes and their interactions with flow....
Applying Machine Learning to Computational Chemistry: Can We Predict Molecular Properties Faster without Compromising Accuracy?
14 Aug 2017 | Presentation Materials | Contributor(s): Hanjing Xu, Pradeep Kumar Gurunathan
Non-covalent interactions are crucial in analyzing protein folding and structure, function of DNA and RNA, structures of molecular crystals and aggregates, and many other processes in the fields...
Parallel Computation using MEMS Oscillator-based Computing System
14 Aug 2017 | Presentation Materials | Contributor(s): Xinrui Wang
In recent years, parallel computing systems such as artificial neural networks (ANNs) have been of great interest. In these systems which emulate the behavior of human brains, the processing is...
RadCool: a Web-enabled Simulation Tool for Radiative Cooling
14 Aug 2017 | Presentation Materials | Contributor(s): Yu-wen (Wendy) Lin, Peter Bermel, Evan L Schlenker, Zhou Zhiguang
Thermophotovoltaic (TPV) systems can generate electricity from high-temperature heat sources via thermal radiation. However, the intense heating of a photovoltaic (PV) cell can greatly reduce the...
Characterization of Avicel and Acetaminophen Powder Mixtures
07 Aug 2017 | Presentation Materials | Contributor(s): Danyal Cave, Yasasvi Raghavendra Bommireddy, Marcial Gonzalez
This research addresses a way to try and bring pharmaceutical prices down, improve development by only creating a few tablets to study, which in return saves money and create better quality tablets.
Development of a NanoHUB Tool: Mechanical Features of Crystalline Nano Cellulose
07 Aug 2017 | Presentation Materials | Contributor(s): Joshua Leonardo, Mehdi Shishehbor, Pablo Daniel Zavattieri
In the past decade, many researchers have studied mechanical properties of polymer reinforced nanocomposites to understand and improve the performance of materials. In this research, we would...
Dynamic Failure of Polymer-Bonded Explosives under Periodic Excitation
07 Aug 2017 | Presentation Materials | Contributor(s): Rachel Katherine Kohler, Camilo Alberto Duarte, Marisol Koslowski
Accidental mishandling of explosive materials leads to thousands of injuries in the US every year. Understanding the mechanisms behind the detonation process is crucial to prevent such accidents....
Microstructure Evolution During Compaction of Powder Blends
07 Aug 2017 | Presentation Materials | Contributor(s): Ayush Giri
Powder Compaction is a manufacturing technology which is used to mold granular particles to solid materials. Powder compaction is widely used by pharmaceutical companies to manufacture tablets...
Modeling High-Efficiency Rear Junction Photovoltaic Devices
07 Aug 2017 | Presentation Materials | Contributor(s): Valerie C Vidal, Peter Bermel, Allison Perna
Solar cells are a renewable energy technology that has begun to supply energy in many regions of the world at a utility scale. Nonetheless, further improvements in solar technology are still...
Predicting Locations of Pollution Sources using Convolutional Neural Networks
07 Aug 2017 | Presentation Materials | Contributor(s): Yiheng Chi, Guang Lin, Nickolas D Winovich
Pollution is a severe problem today, and the main challenge in water pollution controls and eliminations is detecting and locating pollution sources. This research project aims to predict the...
PUMP: A tool of global meteorological data for optimizing
07 Aug 2017 | Presentation Materials | Contributor(s): Binglin Zhao, Muhammad A. Alam, Xingshu Sun
We have build a PUMP can facilitate the development and optimization of solar farms globally by providing quick access to various meteorological...
Spectral Phonon Relaxation Time Calculation Tool Based on Molecular Dynamics
07 Aug 2017 | Presentation Materials | Contributor(s): Divya Chalise, Tianli Feng, Xiulin Ruan
Thermal conductivity is an important material property which affects the performance of a wide range of devices from thermoelectrics to nanoelectronics. Information about phonon vibration modes...
Structure-Force Field Generator for Molecular Dynamics Simulations
07 Aug 2017 | Presentation Materials | Contributor(s): Carlos Miguel Patiño, Lorena Alzate-Vargas, Alejandro Strachan
Atomistic and molecular simulations have become an important research field due to the progress made in computer performance and the necessity of new and improved materials. Despite this, first...
Understanding Powder Compaction Using Single Particle Measurements (an experimental approach)
07 Aug 2017 | Presentation Materials | Contributor(s): Felix D Monge, Ankit Agarwal, Marcial Gonzalez
Many macroscopic materials are made (or can only be made) with small particles. Therefore, a fundamental understanding of their microstructures and behavior when compacted is necessary...
Understanding the Role of Fabrication Method on Metal Alloys Used in Nuclear Power Plants
07 Aug 2017 | Presentation Materials | Contributor(s): Esteban Bautista, Alexander Bullens, Janelle P Wharry
Current nuclear reactor components consist of forged or casted Iron-based or Nickel-based alloys. Both these fabrication techniques present challenges in long-term performance and structural...
Aug 01 2017
2017 Network for Computational Nanotechnology Undergraduate Research Experience Poster Session
How to Seriously Read a Scientific Paper
21 Mar 2016 |
Posted by Tanya Faltens
Efficient Exploration of Quantified Uncertainty in Granular Crystals
16 Mar 2016 | Online Presentations | Contributor(s): Juan Camilo Lopez
This work presents a way of quantifying uncertainty in granular crystals in a computationally efficient way. To accomplish this, a low dimensional response surface is approximated through the...
Nanomechanics Simulation Tool: Dislocations Make or Break Materials
16 Mar 2016 | Online Presentations | Contributor(s): Michael N Sakano
The goal of computational material science is to improve existing materials and design new ones through mathematical calculations. In particular, molecular dynamic simulations can allow for...