activity
20242026
most citedDeep-learning density functional perturbation theory

58 citations · 169 across the 26 of their papers we have counts for

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Showing 2024Show all

15 papers · 1 filter

cond-mat.str-el2024★ 1 cited

Magnetorotons in Moiré Fractional Chern Insulators

Xiaoyang Shen, Chonghao Wang, Xiaodong Hu +5

The discovery of fractional Chern insulators (FCIs) unlocks exciting opportunities to explore emergent physical excitations arising from topological and geometric effects in novel…

cond-mat.mes-hall2024

Deep Band Crossings Enhanced Nonlinear Optical Effects

Nianlong Zou, He Li, Meng Ye +8

Nonlinear optical (NLO) effects in materials with band crossings have attracted significant research interests due to the divergent band geometric quantities around these crossings…

cond-mat.str-el2024

Fractional Chern insulators in moiré flat bands with high Chern numbers

Chonghao Wang, Xiaoyang Shen, Ruiping Guo +3

Recent discoveries of zero-field fractional Chern insulators in moiré materials have attracted intensive research interests. However, most current theoretical and experimental atte…

cond-mat.str-el2024

Stable magic angle in twisted Kane-Mele materials

Cheng Xu, Yong Xu, Wenhui Duan +1

We propose that flat bands and van Hove singularities near the magic angle can be stabilized against angle disorder in the twisted Kane-Mele model. With continuum model and maximal…

physics.comp-ph2024

Deep learning density functional theory Hamiltonian in real space

Zilong Yuan, Zechen Tang, Honggeng Tao +11

Deep learning electronic structures from ab initio calculations holds great potential to revolutionize computational materials studies. While existing methods proved success in dee…

physics.comp-ph2024★ 44 cited

Universal materials model of deep-learning density functional theory Hamiltonian

Yuxiang Wang, Yang Li, Zechen Tang +14

Realizing large materials models has emerged as a critical endeavor for materials research in the new era of artificial intelligence, but how to achieve this fantastic and challeng…

cond-mat.str-el2024

Stabilizing fractional Chern insulators via exchange interaction in moiré systems

Xiaoyang Shen, Chonghao Wang, Ruiping Guo +3

Recent experimental discovery of fractional Chern insulator in moiré Chern band in twisted transition metal dichalocogenide homobilayers has sparked intensive interest in exploring…

cond-mat.mtrl-sci2024

Deep-Learning Database of Density Functional Theory Hamiltonians for Twisted Materials

Ting Bao, Runzhang Xu, He Li +5

Moiré-twisted materials have garnered significant research interest due to their distinctive properties and intriguing physics. However, conducting first-principles studies on such…

cond-mat.mtrl-sci2024★ 18 cited

Giant and controllable nonlinear magneto-optical effects in two-dimensional magnets

Dezhao Wu, Meng Ye, Haowei Chen +2

The interplay of polarization and magnetism in materials with light can create rich nonlinear magneto-optical (NLMO) effects, and the recent discovery of two-dimensional (2D) van d…

physics.comp-ph2024★ 24 cited

Neural-network Density Functional Theory Based on Variational Energy Minimization

Yang Li, Zechen Tang, Zezhou Chen +7

Deep-learning density functional theory (DFT) shows great promise to significantly accelerate material discovery and potentially revolutionize materials research. However, current…

physics.comp-ph2024

Valley-dependent Multiple Quantum States and Topological Transitions in Germanene-based Ferromagnetic van der Waals Heterostructures

Feng Xue, Jiaheng Li, Yizhou Liu +3

Topological and valleytronic materials are promising for spintronic and quantum applications due to their unique properties. Using first principles calculations, we demonstrate tha…

cond-mat.mtrl-sci2024

Equivariant Neural Network Force Fields for Magnetic Materials

Zilong Yuan, Zhiming Xu, He Li +6

Neural network force fields have significantly advanced ab initio atomistic simulations across diverse fields. However, their application in the realm of magnetic materials is stil…

physics.comp-ph2024★ 58 cited

Deep-learning density functional perturbation theory

He Li, Zechen Tang, Jingheng Fu +5

Calculating perturbation response properties of materials from first principles provides a vital link between theory and experiment, but is bottlenecked by the high computational c…

physics.comp-ph2024★ 5 cited

DeepH-2: Enhancing deep-learning electronic structure via an equivariant local-coordinate transformer

Yuxiang Wang, He Li, Zechen Tang +6

Deep-learning electronic structure calculations show great potential for revolutionizing the landscape of computational materials research. However, current neural-network architec…

cond-mat.supr-con2024★ 1 cited

Enhancement of Ising superconductivity in monolayer NbSe via surface fluorination

Jizheng Wu, Wujun Shi, Chong Wang +3

Recently discovered Ising superconductors have garnered considerable interest due to their anomalously large in-plane upper critical fields (). However, the requisite stron…