Tags: NCN SURF

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  1. 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...

    http://nanohub.org/resources/27064

  2. 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....

    http://nanohub.org/resources/26906

  3. 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...

    http://nanohub.org/resources/26904

  4. 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...

    http://nanohub.org/resources/26908

  5. 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...

    http://nanohub.org/resources/26902

  6. 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...

    http://nanohub.org/resources/26941

  7. 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....

    http://nanohub.org/resources/26937

  8. 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...

    http://nanohub.org/resources/26945

  9. 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...

    http://nanohub.org/resources/26948

  10. 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...

    http://nanohub.org/resources/26933

  11. 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...

    http://nanohub.org/resources/26935

  12. 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...

    http://nanohub.org/resources/26959

  13. 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...

    http://nanohub.org/resources/23760

  14. 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...

    http://nanohub.org/resources/23765