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20182026
most citedDeep-Learning Density Functional Theory Hamiltonian for Efficient ab initio Electronic-Structure Calculation

239 citations · 633 across the 17 of their papers we have counts for

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Showing cond-mat.mtrl-sciShow all

5 papers · 1 filter

cond-mat.mtrl-sci2026

Sign-resolved nanoscale readout and control of hidden antiferromagnetic spin order

A. Schmid, D. Siebenkotten, D. Dai +16

Antiferromagnetic memories promise ultrafast, stray-field-free information storage. Yet perfect magnetic compensation conceals the information carrier itself: the sign of the Néel…

cond-mat.mtrl-sci2021★ 44 cited

Basic formulation and first-principles implementation of nonlinear magneto-optical effects

Haowei Chen, Meng Ye, Nianlong Zou +3

First-principles calculation of nonlinear magneto-optical effects has become an indispensable tool to reveal the geometric and topological nature of electronic states and to unders…

cond-mat.mtrl-sci2021★ 239 cited

Deep-Learning Density Functional Theory Hamiltonian for Efficient ab initio Electronic-Structure Calculation

He Li, Zun Wang, Nianlong Zou +5

The marriage of density functional theory (DFT) and deep learning methods has the potential to revolutionize modern computational materials science. Here we develop a deep neural n…

cond-mat.mtrl-sci2020★ 1 cited

Ubiquitous topological states of phonons in solids: Silicon as a model material

Yizhou Liu, Nianlong Zou, Sibo Zhao +3

Research on topological physics of phonons has attracted enormous interest but demands appropriate model materials. Our {\it ab initio} calculations identify silicon as an ideal ca…

cond-mat.mtrl-sci2018★ 34 cited

Dimensional Crossover and Topological Phase Transition in Dirac Semimetal Na3Bi Films

Huinan Xia, Yang Li, Min Cai +7

Three-dimensional (3D) topological Dirac semimetal, when thinned down to 2D few layers, is expected to possess gapped Dirac nodes via quantum confinement effect and concomitantly d…