Saved in:
| Main Authors: | Poteshman, Abigail N., Ricci, Francesco, Neaton, Jeffrey B. |
|---|---|
| Format: | Preprint |
| Published: |
2025
|
| Subjects: | |
| Online Access: | https://arxiv.org/abs/2511.18586 |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
Similar Items
The reliability of hybrid functionals for accurate fundamental and optical gap prediction of bulk solids and surfaces
by: Sagredo, Francisca, et al.
Published: (2025)
by: Sagredo, Francisca, et al.
Published: (2025)
Automated Workflow for Non-Empirical Wannier-Localized Optimal Tuning of Range-Separated Hybrid Functionals
by: Gant, Stephen E., et al.
Published: (2025)
by: Gant, Stephen E., et al.
Published: (2025)
Enhanced Interlayer Coupling and Excitons in Twin-Stacked Two-Dimensional Magnetic CrSBr Bilayers
by: Ke, Sijia, et al.
Published: (2026)
by: Ke, Sijia, et al.
Published: (2026)
Real-Space Quantification of Exciton Localization in Acene Crystals Using Wannier Function Decomposition
by: Tao, Zui, et al.
Published: (2025)
by: Tao, Zui, et al.
Published: (2025)
High-throughput study of electrical conductivity in ordered metals
by: da Silva, Thalis H. B., et al.
Published: (2026)
by: da Silva, Thalis H. B., et al.
Published: (2026)
Accurate Point Defect Energy Levels from Non-Empirical Screened Range-Separated Hybrid Functionals: the Case of Native Vacancies in ZnO
by: Ke, Sijia, et al.
Published: (2025)
by: Ke, Sijia, et al.
Published: (2025)
Ultrafast Spontaneous Exciton Dissociation via Phonon Emission in BiVO$_4$
by: Gant, Stephen E., et al.
Published: (2025)
by: Gant, Stephen E., et al.
Published: (2025)
Rearrangement collision theory of phonon-driven exciton dissociation
by: Coveney, Christopher J. N., et al.
Published: (2024)
by: Coveney, Christopher J. N., et al.
Published: (2024)
Capturing electronic correlations in electron-phonon interactions in molecular systems with the GW approximation
by: Alvertis, Antonios M., et al.
Published: (2024)
by: Alvertis, Antonios M., et al.
Published: (2024)
Predicting electrical conductivity in bi-metal composites
by: Blaschke, Daniel N., et al.
Published: (2024)
by: Blaschke, Daniel N., et al.
Published: (2024)
High-throughput screening and mechanistic insights into solid acid proton conductors
by: Hänseroth, Jonas, et al.
Published: (2026)
by: Hänseroth, Jonas, et al.
Published: (2026)
High-throughput computational screening of Heusler compounds with phonon considerations for enhanced material discovery
by: Xiao, Enda, et al.
Published: (2025)
by: Xiao, Enda, et al.
Published: (2025)
Sub-cycle field-driven dynamical Berry phase in solids
by: Faeyrman, Lior, et al.
Published: (2026)
by: Faeyrman, Lior, et al.
Published: (2026)
Influence Functional Approach to Non-Perturbative Exciton Binding Renormalization from Phonons
by: Rana, Rohit, et al.
Published: (2026)
by: Rana, Rohit, et al.
Published: (2026)
EC-MOF/Phase-I: A computationally ready database of electrically conductive metal-organic frameworks with high-throughput structural and electronic properties
by: Zhang, Zeyu, et al.
Published: (2022)
by: Zhang, Zeyu, et al.
Published: (2022)
Electronic and Optical Excitations in van der Waals Materials from a Non-Empirical Wannier-Localized Optimally-Tuned Screened Range-Separated Hybrid Functional
by: Camarasa-Gómez, María, et al.
Published: (2024)
by: Camarasa-Gómez, María, et al.
Published: (2024)
Large Berry curvature effects induced by extended nodal structures: Rational design strategy and high-throughput materials predictions
by: Wang, Wencheng, et al.
Published: (2025)
by: Wang, Wencheng, et al.
Published: (2025)
High-throughput computation and machine learning modeling of magnetic moments and Mössbauer parameters for Fe-based intermetallics
by: Zhao, Bo, et al.
Published: (2025)
by: Zhao, Bo, et al.
Published: (2025)
Foundations of the ionization potential condition for localized electron removal in density functional theory
by: Ohad, Guy, et al.
Published: (2025)
by: Ohad, Guy, et al.
Published: (2025)
Orbital magnetization in two-dimensional materials from high-throughput computational screening
by: Ovesen, Martin, et al.
Published: (2024)
by: Ovesen, Martin, et al.
Published: (2024)
Reproducibility of high-throughput density-functional-theory calculations
by: Lu, Chenxi, et al.
Published: (2025)
by: Lu, Chenxi, et al.
Published: (2025)
High-throughput screening for boride superconductors
by: Chen, Shiya, et al.
Published: (2024)
by: Chen, Shiya, et al.
Published: (2024)
Photocurrent generation in solids via linearly polarized laser
by: Bharti, Amar, et al.
Published: (2024)
by: Bharti, Amar, et al.
Published: (2024)
Electronic structure and optical properties of halide double perovskites from a Wannier-localized optimally-tuned screened range-separated hybrid functional
by: Sagredo, Francisca, et al.
Published: (2024)
by: Sagredo, Francisca, et al.
Published: (2024)
High-throughput computational screening of small, eco-friendly, molecular crystals for sustainable piezoelectric materials
by: Vishnoi, Shubham, et al.
Published: (2024)
by: Vishnoi, Shubham, et al.
Published: (2024)
Tunable electronic energy level alignment and exciton diversity in organic-inorganic van der Waals heterostructures
by: Champagne, Aurélie, et al.
Published: (2025)
by: Champagne, Aurélie, et al.
Published: (2025)
High-throughput screening of Weyl semimetals
by: Grassano, Davide, et al.
Published: (2023)
by: Grassano, Davide, et al.
Published: (2023)
Magnetic-field induced spiral order in the electric polarization
by: Wang, Pei, et al.
Published: (2024)
by: Wang, Pei, et al.
Published: (2024)
High-throughput screening of charge-order-induced ferroelectrics
by: Cuevas-Medina, Jose, et al.
Published: (2025)
by: Cuevas-Medina, Jose, et al.
Published: (2025)
High-throughput computational framework for lattice dynamics and thermal transport including high-order anharmonicity: an application to cubic and tetragonal inorganic compounds
by: Li, Zhi, et al.
Published: (2025)
by: Li, Zhi, et al.
Published: (2025)
Sign reversal of Berry curvature triple driven by magnetic phase transition in a ferromagnetic polar metal
by: Sha, Xuyang, et al.
Published: (2025)
by: Sha, Xuyang, et al.
Published: (2025)
From Berry curvature to quantum metric: a new era of quantum geometry metrology for Bloch electrons in solids
by: Yang, Bohm-Jung
Published: (2025)
by: Yang, Bohm-Jung
Published: (2025)
Exciton-phonon coupling induces new pathway for ultrafast intralayer-to-interlayer exciton transition and interlayer charge transfer in WS2-MoS2 heterostructure: a first-principles study
by: Chan, Yang-hao, et al.
Published: (2024)
by: Chan, Yang-hao, et al.
Published: (2024)
Exciton thermalization dynamics in monolayer MoS2: a first-principles Boltzmann equation study
by: Chan, Yang-hao, et al.
Published: (2024)
by: Chan, Yang-hao, et al.
Published: (2024)
High-throughput Discovery of Anti-gap Semiconductors
by: Xiang, Zeyu, et al.
Published: (2025)
by: Xiang, Zeyu, et al.
Published: (2025)
Theory of polarization-switchable electrical conductivity anisotropy in nonpolar semiconductors
by: Zhao, Hong Jian, et al.
Published: (2024)
by: Zhao, Hong Jian, et al.
Published: (2024)
High-throughput discovery of moiré homobilayers guided by topology and energetics
by: Nakatsuji, Naoto, et al.
Published: (2025)
by: Nakatsuji, Naoto, et al.
Published: (2025)
High-throughput calculations of antiferromagnets hosting anomalous transport phenomena
by: Nomoto, Takuya, et al.
Published: (2024)
by: Nomoto, Takuya, et al.
Published: (2024)
High-throughput Screening of the Mechanical Properties of Peptide Assemblies
by: Yorke, Sarah K., et al.
Published: (2025)
by: Yorke, Sarah K., et al.
Published: (2025)
Structural chirality measurements and computation of handedness in periodic solids
by: Gómez-Ortiz, Fernando, et al.
Published: (2024)
by: Gómez-Ortiz, Fernando, et al.
Published: (2024)
Similar Items
-
The reliability of hybrid functionals for accurate fundamental and optical gap prediction of bulk solids and surfaces
by: Sagredo, Francisca, et al.
Published: (2025) -
Automated Workflow for Non-Empirical Wannier-Localized Optimal Tuning of Range-Separated Hybrid Functionals
by: Gant, Stephen E., et al.
Published: (2025) -
Enhanced Interlayer Coupling and Excitons in Twin-Stacked Two-Dimensional Magnetic CrSBr Bilayers
by: Ke, Sijia, et al.
Published: (2026) -
Real-Space Quantification of Exciton Localization in Acene Crystals Using Wannier Function Decomposition
by: Tao, Zui, et al.
Published: (2025) -
High-throughput study of electrical conductivity in ordered metals
by: da Silva, Thalis H. B., et al.
Published: (2026)