Dynamic Crack Growth under Periodic Excitation Simulator
02 Aug 2017 | Tools | Contributor(s): Rachel Katherine Kohler, Nicolò Grilli, Marisol Koslowski
Simulate 2D crack growth due to sinusoidal loading.
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...
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...
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...
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....