519 citations · 2.4k across the 44 of their papers we have counts for
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cond-mat.mtrl-sci2014★ 1 cited
Ab-Initio Molecular Dynamics Acceleration Scheme with an Adaptive Machine Learning Framework
Venkatesh Botu, Rampi Ramprasad
Quantum mechanics based ab-initio molecular dynamics (MD) simulation schemes offer an accurate and direct means to monitor the time-evolution of materials. Nevertheless, the expens…
cond-mat.mtrl-sci2014★ 519 cited
Pathways Towards Ferroelectricity in Hafnia
Tran Doan Huan, Vinit Sharma, George A. Rossetti +1
The question of whether one can systematically identify (previously unknown) ferroelectric phases of a given material is addressed, taking hafnia (HfO) as an example. Low free…