CHE 597A Lecture 11: Chemicals Production in a Solar Powered World

01 Oct 2019 | Online Presentations | Contributor(s): Rakesh Agrawal

CHE 597A Lecture 12: Solar Energy - Photovoltaics

15 Oct 2019 | Online Presentations | Contributor(s): Peter Bermel

CHE 597A Lecture 13: Solar Energy - Storage Oveview

15 Oct 2019 | Online Presentations | Contributor(s): Peter Bermel

CHE 597A Lecture 14: Solar Energy - Photovoltaics and Crop Production

15 Oct 2019 | Online Presentations | Contributor(s): Peter Bermel

Machine Learning for Property Prediction and Materials Discovery

20 Sep 2019 | Presentation Materials | Contributor(s): Mackinzie S Farnell, Nicolae C Iovanac, Brett Matthew Savoie

Machine learning displays excellent potential for generating material property predictions and discovering novel compounds with desirable properties; however, it can be prohibitively costly to obtain data to train machine learning models. This barrier can be overcome by training models to...

Motility Training App

20 Sep 2019 | Tools | Contributor(s): Furkan Kurtoglu, Aneequa Sundus, Kali Nicole Konstantinopoulos, Mary Chen, Drew Willis, Randy Heiland, Paul Macklin

Training application for "Motility" concept in PhysiCell.

Gibbs Adsorption Simulator

10 Oct 2019 | Tools | Contributor(s): Julian C Umeh, Thomas A Manz

Simulates the adsorption of gases using Gibbs ensemble

3 min Research Talk: Web-based Machine Learning Tool for Material Discovery and Property Prediction

26 Sep 2019 | Online Presentations | Contributor(s): Bryan Arciniega

This model allows the end-user to increase their knowledge on a scarce data set by using a data-rich property set. We also investigate the effect of chemical representation and autoencoder type on property prediction and compound generation.

NCN Undergraduate Research Experience 2019 - 3 Minute Research Talks

25 Sep 2019 | Workshops

As part of each student's undergraduate research experience, each student gave a 3 minute presentation describing their research work.

3 min Research Talk: Plasmonic Core-Multishell Nanowires for Optical Applications

26 Sep 2019 | Online Presentations | Contributor(s): Raheem Carless

ED lights and technology are being used more often in today’s society. Compared to traditional illumination they are far more reliable and efficient, in the sense that they last longer, are environmentally friendly, and most importantly, they reduce energy waste.

3 min Research Talk: Using Machine Learning for Materials Discovery and Property Prediction

26 Sep 2019 | Online Presentations | Contributor(s): Mackinzie S Farnell

Machine Learning models present a transformative method of optimization and prediction in science and engineering research. In the chemical sciences, unsupervised deep learning models such as autoencoders have shown to be useful for property prediction and material...

A ‘Coherent’ View of (some) Quantum Materials by Soft Resonant Elastic X-Ray Scattering

26 Sep 2019 | Online Presentations | Contributor(s): Claudio Mazzoli

Electronic properties of quantum materials inherently depend on their time and space correlations. In my talk I will present some relevant cases investigated by coherent x-ray scattering in soft elastic regime.

Gaussian Process Regression Model for Piezoelectric and Dielectric Constants in Gallium Nitride

03 Aug 2020 | Tools | Contributor(s): Saswat Mishra, Karthik Guda Vishnu, Alejandro Strachan

Gaussian Process Regression Model for Piezoelectric and Dielectric Constants in Gallium Nitride as a function of Strain and Aluminum doping

Perspectives on High-Performance Computing in a Big Data World

30 Sep 2019 | Courses | Contributor(s): Fox, Geoffrey C.

This course was deleivered at ACM International Symposium on High-Performance Parallel and Distributed Computing (HPDC).High-Performance Computing (HPC) and Cyberinfrastructure have played a leadership role in computational science even since the start of the NSF computing centers program. Thirty...

Perspectives on High-Performance Computing in a Big Data World: Part C - MLaroundHPDC/HPC and MLAutotuning

10 Oct 2019 | Online Presentations | Contributor(s): Fox, Geoffrey C.

This is the first part of the discussion of MLforHPC. It includes MLAutotuning (Using ML to configure or autotune ML or HPC simulations and MLaroundHPC (Learning outputs from inputs).

Perspectives on High-Performance Computing in a Big Data World: Part D - Learning Model Details and Agent-Based Simulations

17 Oct 2019 | Online Presentations | Contributor(s): Fox, Geoffrey C.

This lecture completes the discussion of MLforHPC. It covers Learning Model Details and Agents and Time-Series Case Studies.

Perspectives on High-Performance Computing in a Big Data World: Part E - Challenges and Opportunities, Conclusions

17 Oct 2019 | Online Presentations | Contributor(s): Fox, Geoffrey C.

This lecture covers the computer science issues raised in this talk. The conclusions note that HPDC/HPC is essential; it is good to work closely with industry with student Internships and Collaborations; the Global AI and Modeling Supercomputer GAIMSC is a good framework with an HPC Cloud linked...

ME 697R Lecture 7.2: Multiscale Multiphysics Simulations - Thermoelectric Transport in PbTe

05 Dec 2019 | Online Presentations | Contributor(s): Xiulin Ruan

Nanosphere Electrostatics Lab Tutorial

11 Nov 2019 | Online Presentations | Contributor(s): Jayanath Chamindu Sandanuwan Kadupitiya Kadupitige, Ballard, Joshua Brendan

Accurate knowledge of ionic structure & dynamics is critical to study nanoparticle dynamics. Nanoparticles are polarized in most solvents. Simulating the dynamics of ions near polarizable nanoparticles is challenging: Need to solve Poisson equation at every timestep....

Towards Quantum Information Processing with Atom-Filled Hollow-Core Fibres

10 Oct 2019 | Online Presentations | Contributor(s): Ben Sparkes

I will present results from our experiments aiming for efficient, coherent and noiseless storage of high-bandwidth optical pulses in warm rubidium-filled HCPCFs using the off-resonance cascade absorption (ORCA) technique.