COMPUTATIONAL SOCIAL SCIENCE RESEARCH COLLOQUIUM /COLLOQUIUM IN COMPUTATIONAL AND DATA SCIENCES – Modeling the Magnetic Spin Spiral – Swabir Silayi
Computational Social Science Research Colloquium /
Colloquium in Computational and Data Sciences
Swabir Silayi, CSI PhD Candidate
George Mason University
Modeling the Magnetic Spin Spiral of MnAu2 –
Leveraging Data Science in Materials Simulations
Friday, November 16, 3:00 p.m.
Center for Social Complexity Suite, 3rd Floor Research Hall
All are welcome to attend.
Many properties of materials can be traced to the microscopic interactions of their atoms and electrons. These properties and their variety make possible their wide range of applications from chips in smart electronic devices to building construction. Computationally, we can model and study the properties and their macroscopic effects through density functional theory calculations. Advancements in data science have also led to additional improved tools and methods that enhance the modeling and analysis of the materials properties.
In this presentation I will
* review some basic concepts of computational materials science such as density functional theory and materials simulations,
* talk about the general background and trends in spin electronic devices,
* demonstrate the model we are building and show how we use data science to determine simulation parameters and
* explain the MnAu2 system and how its spin angles can be potentially controlled using external pressure for possible application in spin electronic devices.