activity
20242026
most citedUniversal materials model of deep-learning density functional theory Hamiltonian

44 citations · 90 across the 9 of their papers we have counts for

collaborators

9 papers

cond-mat.mtrl-sci2026

DeepH-pack: A general-purpose neural network package for deep-learning electronic structure calculations

Yang Li, Yanzhen Wang, Boheng Zhao +15

In computational physics and materials science, first-principles methods, particularly density functional theory, have become central tools for electronic structure prediction and…

cond-mat.mes-hall2025★ 1 cited

Electric circuit analog of Landau-Zener tunneling using time-varying elements

Enhong Cheng, Zheng Lian, Zezhou Chen +1

Landau-Zener tunneling (LZT) is a fundamental dynamical phenomenon, ubiquitous in various quantum systems. Here, we propose a time-varying electric circuit to address the question…

cond-mat.supr-con2025

Revisiting dissipation-driven phase transition in a Josephson junction

Diego Subero, Yu-Cheng Chang, Miguel Monteiro +2

Despite extensive experimental and theoretical work over several decades, Schmid-Bulgadaev quantum phase transition remains a subject of debate. Here we revisit this problem by per…

cond-mat.dis-nn2024★ 16 cited

Field theory of non-Hermitian disordered systems

Ze Chen, Kohei Kawabata, Anish Kulkarni +1

The interplay between non-Hermiticity and disorder gives rise to unique universality classes of Anderson transitions. Here, we develop a field-theoretical description of non-Hermit…

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

Improving density matrix electronic structure method by deep learning

Zechen Tang, Nianlong Zou, He Li +10

The combination of deep learning and ab initio materials calculations is emerging as a trending frontier of materials science research, with deep-learning density functional theory…

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…

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★ 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…