Generative design of inorganic materials
Fuente:
arXiv
Saved in:
| Main Authors: | Recatala-Gomez, Jose, Dai, Haiwen, Ruiming, Zhu, Kazeev, Nikita, Wei, Nong, Wu, Gang, Koperski, Maciej, Leong, Tan Teck, Ustyuzhanin, Andrey, Ceder, Gerbrand, Novoselov, Kostya, Hippalgaonkar, Kedar |
|---|---|
| Format: | Preprint |
| Published: |
2026
|
| Subjects: | |
| Online Access: | |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
Similar Items
Multi-property directed generative design of inorganic materials through Wyckoff-augmented transfer learning
by: Yamazaki, Shuya, et al.
Published: (2025)
by: Yamazaki, Shuya, et al.
Published: (2025)
Wyckoff Transformer: Generation of Symmetric Crystals
by: Kazeev, Nikita, et al.
Published: (2025)
by: Kazeev, Nikita, et al.
Published: (2025)
Energy Underprediction from Symmetry in Machine-Learning Interatomic Potentials
by: Nong, Wei, et al.
Published: (2025)
by: Nong, Wei, et al.
Published: (2025)
WyCryst: Wyckoff Inorganic Crystal Generator Framework
by: Zhu, Ruiming, et al.
Published: (2023)
by: Zhu, Ruiming, et al.
Published: (2023)
Exploring material compositions for synthesis using oxidation states
by: Thway, Maung, et al.
Published: (2024)
by: Thway, Maung, et al.
Published: (2024)
Predicting High‐Performance Thermoelectric Materials With StarryData2
by: Nuttawat Parse, et al.
Published: (2024)
by: Nuttawat Parse, et al.
Published: (2024)
Battling Botpoop using GenAI for Higher Education: A Study of a Retrieval Augmented Generation Chatbots Impact on Learning
by: Thway, Maung, et al.
Published: (2024)
by: Thway, Maung, et al.
Published: (2024)
Dis-GEN: Disordered crystal structure generation
by: Petersen, Martin Hoffmann, et al.
Published: (2025)
by: Petersen, Martin Hoffmann, et al.
Published: (2025)
SWORD: Symmetry and Wyckoff-sequence of Ordered and Disordered crystals
by: Huang, Yuyao, et al.
Published: (2026)
by: Huang, Yuyao, et al.
Published: (2026)
Surface defects in carbon-doped hexagonal boron nitride for negative-contrast direct laser writing
by: Litvinov, Dmitrii, et al.
Published: (2026)
by: Litvinov, Dmitrii, et al.
Published: (2026)
Virp: neural network-accelerated prediction of physical properties in site-disordered materials
by: Chen, Andy Paul, et al.
Published: (2026)
by: Chen, Andy Paul, et al.
Published: (2026)
Navigating Order-(Dis)Order Family Trees via Group-Subgroup Transitions
by: Yamazaki, Shuya, et al.
Published: (2026)
by: Yamazaki, Shuya, et al.
Published: (2026)
MoSi$_2$N$_4$-like crystals -- the new family of two-dimensional materials
by: Latychevskaia, Tatiana, et al.
Published: (2025)
by: Latychevskaia, Tatiana, et al.
Published: (2025)
Oxidation Control to Augment Interfacial Charge Transport in Te‐P3HT Hybrid Materials for High Thermoelectric Performance
by: Syed Zulfiqar Hussain Shah, et al.
Published: (2024)
by: Syed Zulfiqar Hussain Shah, et al.
Published: (2024)
Thermodynamic accessibility of Li-Mn-Ti-O cation disordered rock-salt phases
by: Kam, Ronald L., et al.
Published: (2026)
by: Kam, Ronald L., et al.
Published: (2026)
Composable Crystals: Controllable Materials Discovery via Concept Learning
by: Liu, Nian, et al.
Published: (2026)
by: Liu, Nian, et al.
Published: (2026)
Observation of single antiferromagnetic magnon modes in the tunnelling transistors of spin-1/2 Kitaev system a-RuCl3
by: Ozdemir, Servet, et al.
Published: (2026)
by: Ozdemir, Servet, et al.
Published: (2026)
Crystal structure prediction with host-guided inpainting generation and foundation potentials
by: Zhong, Peichen, et al.
Published: (2025)
by: Zhong, Peichen, et al.
Published: (2025)
Substrate-aware computational design of two-dimensional materials
by: Mazitov, Arslan, et al.
Published: (2024)
by: Mazitov, Arslan, et al.
Published: (2024)
Symbolic regression for defect interactions in 2D materials
by: Lazarev, Mikhail, et al.
Published: (2025)
by: Lazarev, Mikhail, et al.
Published: (2025)
Crys-JEPA: Accelerating Crystal Discovery via Embedding Screening and Generative Refinement
by: Liu, Nian, et al.
Published: (2026)
by: Liu, Nian, et al.
Published: (2026)
Mechanisms of alkali ionic transport in amorphous oxyhalides solid state conductors
by: Binci, Luca, et al.
Published: (2026)
by: Binci, Luca, et al.
Published: (2026)
DistMLIP: A Distributed Inference Platform for Machine Learning Interatomic Potentials
by: Han, Kevin, et al.
Published: (2025)
by: Han, Kevin, et al.
Published: (2025)
Li+/H+ exchange in solid-state oxide Li-ion conductors
by: Li, Zhuohan, et al.
Published: (2025)
by: Li, Zhuohan, et al.
Published: (2025)
Hierarchical high-throughput screening of alkaline-stable lithium-ion conductors combining machine learning and first-principles calculations
by: Li, Zhuohan, et al.
Published: (2025)
by: Li, Zhuohan, et al.
Published: (2025)
Broadband dielectric permittivity tensor of muscovite for next-generation all van der Waals photonic components
by: Hayrapetyan, Meri, et al.
Published: (2026)
by: Hayrapetyan, Meri, et al.
Published: (2026)
Inverse Design of Broadband Antennas for Terahertz Devices Based on 2D Materials
by: Lukianov, M., et al.
Published: (2025)
by: Lukianov, M., et al.
Published: (2025)
Observation of Topological Chirality Switching Induced Freezing of a Skyrmion Crystal
by: John Fullerton, et al.
Published: (2025)
by: John Fullerton, et al.
Published: (2025)
Deep learning of experimental electrochemistry for battery cathodes across diverse compositions
by: Zhong, Peichen, et al.
Published: (2023)
by: Zhong, Peichen, et al.
Published: (2023)
Voltage Mining for (De)lithiation-stabilized Cathodes and a Machine Learning Model for Li-ion Cathode Voltage
by: Li, Haoming Howard, et al.
Published: (2024)
by: Li, Haoming Howard, et al.
Published: (2024)
Modeling phase transformations in Mn-rich disordered rocksalt cathodes with machine learning interatomic potentials
by: Zhong, Peichen, et al.
Published: (2025)
by: Zhong, Peichen, et al.
Published: (2025)
Degradation Mechanism of Phosphate‐Based Li‐NASICON Conductors in Alkaline Environment
by: Benjamin X. Lam, et al.
Published: (2024)
by: Benjamin X. Lam, et al.
Published: (2024)
Scalable learning of macroscopic stochastic dynamics
by: Chen, Mengyi, et al.
Published: (2025)
by: Chen, Mengyi, et al.
Published: (2025)
Applications and Mechanistic Insights Into Intrinsically Self‐Healing Polymers With Multifunctional 2D Materials
by: Chirag R. Ratwani, et al.
Published: (2025)
by: Chirag R. Ratwani, et al.
Published: (2025)
Near-unity efficiency optical vortex generation in van der Waals materials
by: Byun, Sujeong, et al.
Published: (2026)
by: Byun, Sujeong, et al.
Published: (2026)
Advances in Metal Organic Framework (MOF)–Integrated Smart Textiles
by: Zahir Abbas, et al.
Published: (2026)
by: Zahir Abbas, et al.
Published: (2026)
Sistema de indicadores para evaluar la calidad ambiental y la desertificación en la Comunidad Valenciana
by: Luis Recatalá Boix
Published: (2009)
by: Luis Recatalá Boix
Published: (2009)
MATRIX: A Multimodal Benchmark and Post-Training Framework for Materials Science
by: McGrath, Delia, et al.
Published: (2026)
by: McGrath, Delia, et al.
Published: (2026)
Effect of cation-disorder on lithium transport in halide superionic conductors
by: Zhong, Peichen, et al.
Published: (2024)
by: Zhong, Peichen, et al.
Published: (2024)
Enhanced Charge Transport at the Interface in P3HT‐Tellurium Nanowires Hybrid Materials for High Thermoelectric Performance
by: Syed Zulfiqar Hussain Shah, et al.
Published: (2025)
by: Syed Zulfiqar Hussain Shah, et al.
Published: (2025)
Similar Items
-
Multi-property directed generative design of inorganic materials through Wyckoff-augmented transfer learning
by: Yamazaki, Shuya, et al.
Published: (2025) -
Wyckoff Transformer: Generation of Symmetric Crystals
by: Kazeev, Nikita, et al.
Published: (2025) -
Energy Underprediction from Symmetry in Machine-Learning Interatomic Potentials
by: Nong, Wei, et al.
Published: (2025) -
WyCryst: Wyckoff Inorganic Crystal Generator Framework
by: Zhu, Ruiming, et al.
Published: (2023) -
Exploring material compositions for synthesis using oxidation states
by: Thway, Maung, et al.
Published: (2024)