Cover Image

Rapid estimation of synthesizability windows of inorganic materials from first principles

Fuente: arXiv

Saved in:

Bibliographic Details
Main Authors:	Tadge, Finja, Rodrigo, Javier Sanz, Crovetto, Andrea
Format:	Preprint
Published:	2026
Subjects:	Materials Science
Online Access:	Acceder al recurso
Tags:	Add Tag No Tags, Be the first to tag this record!

Similar Items

A sulfonitride transparent conductive thin film with ultra-high refractive index
by: Bertin, Eugène, et al.
Published: (2026)

A figure-of-merit-based framework to evaluate photovoltaic materials
by: Crovetto, Andrea
Published: (2024)

AI-enhanced discovery and accelerated synthesis of metal phosphosulfides
by: Rodrigo, Javier Sanz, et al.
Published: (2026)

Machine-learning-accelerated discovery of synthesizable high-temperature altermagnets with giant spin splitting
by: Jiang, Yi-Fei, et al.
Published: (2026)

Accurate and efficient protocols for high-throughput first-principles materials simulations
by: Nascimento, Gabriel de Miranda, et al.
Published: (2025)

Axial phono-magnetic effects
by: Shabala, Natalia, et al.
Published: (2025)

Generative design of inorganic materials
by: Recatala-Gomez, Jose, et al.
Published: (2026)

Cubic BeB$_2$: A metastable $p$-type conductive material from first principles
by: Zhang, Xiao, et al.
Published: (2025)

Wenzhou TE: a first-principles calculated thermoelectric materials database
by: Fang, Ying, et al.
Published: (2024)

Iron-Arsenide monolayer as an anode materials for Lithium-ion batteries: A first-principles study
by: Kumar, Ajay, et al.
Published: (2025)

Efficient first principles based modeling via machine learning: from simple representations to high entropy materials
by: Li, Kangming, et al.
Published: (2024)

Magnon-phonon interactions from first principles
by: Le, Khoa B., et al.
Published: (2025)

Electronic structure of molybdenene from first principles
by: Shekaari, Ashkan, et al.
Published: (2024)

Expanding the search space of high entropy oxides and predicting synthesizability using machine learning interatomic potentials
by: Dicks, Oliver A., et al.
Published: (2025)

Recent advances in photochromic smart windows based on inorganic materials
by: Weihao Meng, et al.
Published: (2024)

Hydrogen absorption in intermetallic compounds from first principles
by: Nadeau, Olivier, et al.
Published: (2025)

Electron mobility in AlN from first principles
by: Wang, Amanda, et al.
Published: (2025)

Thermodynamic properties of fcc lead: A scalar and fully relativistic first principle study
by: Thakur, Balaram, et al.
Published: (2025)

Integrating electronic structure into generative modeling of inorganic materials
by: Park, Junkil, et al.
Published: (2025)

Electron mobility of SnO2 from first principles
by: Wang, Amanda, et al.
Published: (2024)

Electrical magnetochiral anisotropy in trigonal tellurium from first principles
by: Liu, Xiaoxiong, et al.
Published: (2023)

Precise quantum-geometric electronic properties from first principles
by: Martins, José Luís, et al.
Published: (2025)

Applications of silicon carbide as window materials in atomic cells and atomic devices
by: Xie, Z. -P., et al.
Published: (2025)

Variational first-principles approach to self-trapped polarons
by: Vasilchenko, Vasilii, et al.
Published: (2025)

Approximations in first-principles volumetric thermal expansion determination
by: Rostami, Samare, et al.
Published: (2024)

Indicators for phonon hydrodynamics from first principles predictions of thermal conductivity
by: Malviya, Nikhil, et al.
Published: (2026)

Diffusion coefficients of multi-principal element alloys from first principles
by: Lee, Damien K. J., et al.
Published: (2026)

Atomistic simulations of thermodynamic properties of liquid gallium from first principles
by: Wu, Hongyu, et al.
Published: (2023)

Excitonic effects on infrared vibrational and Raman spectroscopy from first principles
by: Chan, Yang-Hao, et al.
Published: (2024)

Chiral magnon splitting in altermagnetic CrSb from first principles
by: Zhang, Yi-Fan, et al.
Published: (2025)

Non-adiabaticity from first principles: the exact-factorization approach for solids
by: Cohen, Galit, et al.
Published: (2025)

Lattice dynamics of quasi-2D perovskites from first-principles
by: Chen, Emily Y., et al.
Published: (2024)

Efficient method for calculating magnon-phonon coupling from first principles
by: Fang, Wuzhang, et al.
Published: (2025)

Hydrogen reactions with dopants and impurities in solar silicon from first principles
by: Coutinho, José, et al.
Published: (2024)

Phonon-assisted photoluminescence of bilayer MoS$_2$ from first principles
by: Kafle, Gyanu P., et al.
Published: (2025)

Navigating phase diagram complexity to guide robotic inorganic materials synthesis
by: Chen, Jiadong, et al.
Published: (2023)

Unveiling the potential of BCN-Biphenylene monolayer as a high-performance anode material for alkali metal ion batteries: A first-principles study
by: Parida, Ajay Kumar Prakash
Published: (2023)

DyFeO3 electrode material with ultra-wide voltage window for aqueous symmetric supercapacitors
by: Tarek, Mohasin, et al.
Published: (2024)

Excitonic Bloch equations from first principles
by: Stefanucci, Gianluca, et al.
Published: (2024)

Photogalvanic currents from first-principles real-time density-matrix dynamics
by: Yu, Junting, et al.
Published: (2026)