333 citations · 675 across the 21 of their papers we have counts for
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cond-mat.mtrl-sci2017★ 18 cited
Importance of van der Waals interaction on structural, vibrational, and thermodynamics properties of NaCl
Michel L. Marcondes, Renata M. Wentzcovitch, Lucy V. C. Assali
Thermal equations of state (EoS) are essential in several scientific domains. However, experimental determination of EoS parameters may be limited at extreme conditions, therefore,…
cond-mat.mtrl-sci2017★ 24 cited
A general procedure for accurate defect excitation energies from DFT-1/2 band structures: The case of NV center in diamond
Bruno Lucatto, Lucy V. C. Assali, Ronaldo Rodrigues Pela +2
A major challenge in creating a quantum computer is to find a quantum system that can be used to implement the qubits. For this purpose, deep centers are prominent candidates, and…