91 citations · 92 across the 9 of their papers we have counts for
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SHarmonic: A fast and accurate implementation of spherical harmonics for electronic-structure calculations
Xavier Andrade, Jacopo Simoni, Yuan Ping +2
The authors present SHarmonic, a new implementation of the spherical harmonics targeted for electronic-structure calculations. Their approach is to use explicit formulas for the ha…
Terahertz field-induced giant symmetry modulations in a van der Waals antiferromagnet
Sheikh Rubaiat Ul Haque, Martin J. Cross, Sangeeta Rajpurohit +19
Strong-field terahertz (THz) excitations enable dynamic control over electronic, lattice and symmetry degrees of freedom in quantum materials. Here, we uncover pronounced terahertz…
Spin non-Collinear Real-Time Time-Dependent Density-Functional Theory and Implementation in the Modern GPU-Accelerated INQ code
Jacopo Simoni, Xavier Andrade, Wuzhang Fang +4
Time-dependent density functional theory (TDDFT) is a theory that describes the time evolution of quantum mechanical many-electron systems under the influence of external time-depe…
Carrier Localization and Spontaneous Formation of Two-Dimensional Polarization Domain in Halide Perovskites
Andrew Grieder, Marcos Calegari Andrade, Hiroyuki Takenaka +3
Halide perovskites are known for their rich phase diagram and superior performance in diverse optoelectronics applications. The latter property is often attributed to the long elec…