12 citations · 16 across the 3 of their papers we have counts for
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cond-mat.stat-mech2022★ 3 cited
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…
physics.ed-ph2022★ 12 cited
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…