Saved in:
| Main Authors: | Hibbard, Glenn D., Çamkıran, John |
|---|---|
| Format: | Preprint |
| Published: |
2024
|
| Subjects: | |
| Online Access: | https://arxiv.org/abs/2403.13719 |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
Similar Items
A statistical theory of structure in many-particle systems with local interactions
by: Çamkıran, John, et al.
Published: (2026)
by: Çamkıran, John, et al.
Published: (2026)
A damage mechanics model for quasi brittle materials based on the structured deformation theory
by: François, M. L. M.
Published: (2024)
by: François, M. L. M.
Published: (2024)
Spectral scheme for atomic structure calculations in density functional theory
by: Bhowmik, Sayan, et al.
Published: (2024)
by: Bhowmik, Sayan, et al.
Published: (2024)
Unraveling structural and magnetic information during growth of nanocrystalline SrFe12O19
by: Granados-Miralles, Cecilia, et al.
Published: (2025)
by: Granados-Miralles, Cecilia, et al.
Published: (2025)
eminus -- Pythonic electronic structure theory
by: Schulze, Wanja Timm, et al.
Published: (2024)
by: Schulze, Wanja Timm, et al.
Published: (2024)
Machine learning based approach for solving atomic structures of nanomaterials combining pair distribution functions with density functional theory
by: Kløve, Magnus, et al.
Published: (2022)
by: Kløve, Magnus, et al.
Published: (2022)
Bridging deep learning force fields and electronic structures with a physics-informed approach
by: Qi, Yubo, et al.
Published: (2024)
by: Qi, Yubo, et al.
Published: (2024)
Altermagnetism in orthorhombic $Pnma$ structure through group theory and DFT calculations
by: Rooj, Suman, et al.
Published: (2024)
by: Rooj, Suman, et al.
Published: (2024)
Experimentally informed structure optimization of amorphous TiO2 films grown by atomic layer deposition
by: Meng, Jun, et al.
Published: (2024)
by: Meng, Jun, et al.
Published: (2024)
The study of electronic, structural, mechanical, and piezoelectric properties of bulk NbOX2 (X = Cl, Br, and I) using density functional theory
by: Tamang, L. D., et al.
Published: (2025)
by: Tamang, L. D., et al.
Published: (2025)
Towards high-throughput many-body perturbation theory: efficient algorithms and automated workflows
by: Bonacci, Miki, et al.
Published: (2023)
by: Bonacci, Miki, et al.
Published: (2023)
Towards structural softness and enhanced electromechanical responses in HfO2 ferroelectrics
by: Mukherjee, Binayak, et al.
Published: (2024)
by: Mukherjee, Binayak, et al.
Published: (2024)
Towards exascale fully relativistic pseudopotential density functional theory calculations enabled by mixed-precision computation and compressed-communication using residual based subspace iteration
by: Kodali, Nikhil, et al.
Published: (2026)
by: Kodali, Nikhil, et al.
Published: (2026)
Introducing physics-informed generative models for targeting structural novelty in the exploration of chemical space
by: Vasylenko, Andrij, et al.
Published: (2025)
by: Vasylenko, Andrij, et al.
Published: (2025)
The Author and the Science Book
by: Blough, Glenn O.
Published: (1974)
by: Blough, Glenn O.
Published: (1974)
A spiking-domain implementation of electronic structure theory
by: Yadav, Aakash, et al.
Published: (2024)
by: Yadav, Aakash, et al.
Published: (2024)
Electronic structure and elasticity of the Ta-W solid solution
by: Abdelmaqsoud, Kareem, et al.
Published: (2026)
by: Abdelmaqsoud, Kareem, et al.
Published: (2026)
Transfer Learning in Materials Informatics: structure-property relationships through minimal but highly informative multimodal input
by: Massa, Dario, et al.
Published: (2024)
by: Massa, Dario, et al.
Published: (2024)
Phonon-informed Crystal Structure Classification via Precision-Adaptive ResNet-based Confidence Ensemble
by: Chen, Hongyu, et al.
Published: (2026)
by: Chen, Hongyu, et al.
Published: (2026)
Comparing Hubbard parameters from linear-response theory and Hartree-Fock-based approach
by: Yang, Wooil, et al.
Published: (2025)
by: Yang, Wooil, et al.
Published: (2025)
Sustainability-informed materials design
by: Woods-Robinson, Rachel, et al.
Published: (2026)
by: Woods-Robinson, Rachel, et al.
Published: (2026)
Density functional theory calculations for investigation of atomic structures of 4H-SiC/SiO$_2$ interface after NO annealing
by: Komatsu, Naoki, et al.
Published: (2022)
by: Komatsu, Naoki, et al.
Published: (2022)
The influence of Y content on grain structure evolution in Mg-Y alloys
by: Shi, Qianying, et al.
Published: (2026)
by: Shi, Qianying, et al.
Published: (2026)
Polarity vs Chirality: Functionality from competing magneto-structural instabilities
by: Tardieux, M., et al.
Published: (2024)
by: Tardieux, M., et al.
Published: (2024)
Optical absorption spectra of metal oxides from time-dependent density functional theory and many-body perturbation theory based on optimally-tuned hybrid functionals
by: Ohad, Guy, et al.
Published: (2023)
by: Ohad, Guy, et al.
Published: (2023)
Toward a first-principles theory of rare-earth ions in crystals
by: Lee, Y., et al.
Published: (2024)
by: Lee, Y., et al.
Published: (2024)
A density functional theory study of amino acids on Mg and Mg-based alloys
by: Bolin, John, et al.
Published: (2026)
by: Bolin, John, et al.
Published: (2026)
Synergistic improvement of specific strength and plasticity achieved in Ti-based metallic glass designed based on quasicrystal structure
by: Cai, Zhengqing, et al.
Published: (2026)
by: Cai, Zhengqing, et al.
Published: (2026)
Model-free quantification of completeness, uncertainties, and outliers in atomistic machine learning using information theory
by: Schwalbe-Koda, Daniel, et al.
Published: (2024)
by: Schwalbe-Koda, Daniel, et al.
Published: (2024)
Rapid screening of molecular beam epitaxy conditions for monoclinic (InxGa1-x)2O3 alloys
by: Schaefer, Stephen, et al.
Published: (2024)
by: Schaefer, Stephen, et al.
Published: (2024)
Efficient structural relaxation based on the random phase approximation: Applications to the water clusters
by: Tahir, Muhammad N., et al.
Published: (2024)
by: Tahir, Muhammad N., et al.
Published: (2024)
A data-driven framework for structure-property correlation in ordered and disordered cellular metamaterials
by: Luan, Shengzhi, et al.
Published: (2023)
by: Luan, Shengzhi, et al.
Published: (2023)
Physics guided dual Self-supervised learning for structure-based materials property prediction
by: Fu, Nihang, et al.
Published: (2024)
by: Fu, Nihang, et al.
Published: (2024)
Occupation deficiency in layered structures of UNi$_{x}$Sb$_2$ ($ 0 \leq x \leq 1 $) studied by density functional theory supercell calculations
by: Werwiński, Mirosław, et al.
Published: (2025)
by: Werwiński, Mirosław, et al.
Published: (2025)
Score-based diffusion models for accurate crystal-structure inpainting and reconstruction of hydrogen positions
by: Reents, Timo, et al.
Published: (2026)
by: Reents, Timo, et al.
Published: (2026)
Towards edge engineering of two-dimensional layered transition-metal dichalcogenides by chemical vapor deposition
by: Fu, Wei, et al.
Published: (2024)
by: Fu, Wei, et al.
Published: (2024)
Electronic structure of the interface between Au and WSe2
by: Nagireddy, Laxman, et al.
Published: (2025)
by: Nagireddy, Laxman, et al.
Published: (2025)
FE-PINNs: finite-element-based physics-informed neural networks for surrogate modeling
by: Sunil, Pranav, et al.
Published: (2024)
by: Sunil, Pranav, et al.
Published: (2024)
Density functional theory study of effect of NO annealing on electronic structure and carrier-scattering property of 4H-SiC(0001)/SiO$_2$ interface
by: Funaki, Nahoto, et al.
Published: (2025)
by: Funaki, Nahoto, et al.
Published: (2025)
Beyond theory driven discovery: hot random search and datum derived structures
by: Pickard, Chris J.
Published: (2024)
by: Pickard, Chris J.
Published: (2024)
Similar Items
-
A statistical theory of structure in many-particle systems with local interactions
by: Çamkıran, John, et al.
Published: (2026) -
A damage mechanics model for quasi brittle materials based on the structured deformation theory
by: François, M. L. M.
Published: (2024) -
Spectral scheme for atomic structure calculations in density functional theory
by: Bhowmik, Sayan, et al.
Published: (2024) -
Unraveling structural and magnetic information during growth of nanocrystalline SrFe12O19
by: Granados-Miralles, Cecilia, et al.
Published: (2025) -
eminus -- Pythonic electronic structure theory
by: Schulze, Wanja Timm, et al.
Published: (2024)