12 citations · 16 across the 3 of their papers we have counts for
5 papers
scicode-widgets: Bringing Computational Experiments to the Classroom with Jupyter Widgets
Alexander Goscinski, Taylor James Baird, Dou Du +6
"Computational experiments" use code and interactive visualizations to convey mathematical and physical concepts in an intuitive way, and are increasingly used to support ex cathed…
Anharmonic phonons via quantum thermal bath simulations
Taylor Baird, Rodolphe Vuilleumier, Sara Bonella
Lattice vibrations within crystalline solids, or phonons, provide information on a variety of important material characteristics, from thermal qualities to optical properties and p…
Jupyter widgets and extensions for education and research in computational physics and chemistry
Dou Du, Taylor J. Baird, Kristjan Eimre +2
Interactive notebooks are a precious tool for creating graphical user interfaces and teaching materials. Python and Jupyter are becoming increasingly popular in this context, with…
Mass-Zero constrained dynamics for simulations based on orbital-free density functional theory
Alessandro Coretti, Taylor J. Baird, Rodolphe Vuilleumier +1
A new algorithm for efficient and fully time-reversible integration of first-principles molecular dynamics based on orbital-free density functional theory (OFDFT) is presented. The…
OSSCAR, an open platform for collaborative development of computational tools for education in science
Dou Du, Taylor J. Baird, Sara Bonella +1
In this paper we present the Open Software Services for Classrooms and Research (OSSCAR) platform. OSSCAR provides an open collaborative environment to develop, deploy and access e…