Matbench Discovery -- A framework to evaluate machine learning crystal stability predictions
Fuente:
arXiv
Saved in:
| Main Authors: | Riebesell, Janosh, Goodall, Rhys E. A., Benner, Philipp, Chiang, Yuan, Deng, Bowen, Ceder, Gerbrand, Asta, Mark, Lee, Alpha A., Jain, Anubhav, Persson, Kristin A. |
|---|---|
| Format: | Preprint |
| Published: |
2023
|
| Subjects: | |
| Online Access: | |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
Similar Items
Pushing the Pareto front of band gap and permittivity: ML-guided search for dielectric materials
by: Riebesell, Janosh, et al.
Published: (2024)
by: Riebesell, Janosh, et al.
Published: (2024)
Overcoming systematic softening in universal machine learning interatomic potentials by fine-tuning
by: Deng, Bowen, et al.
Published: (2024)
by: Deng, Bowen, et al.
Published: (2024)
TorchSim: An efficient atomistic simulation engine in PyTorch
by: Cohen, Orion, et al.
Published: (2025)
by: Cohen, Orion, et al.
Published: (2025)
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)
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)
Cross-functional transferability in universal machine learning interatomic potentials
by: Huang, Xu, et al.
Published: (2025)
by: Huang, Xu, et al.
Published: (2025)
A Foundational Potential Energy Surface Dataset for Materials
by: Kaplan, Aaron D., et al.
Published: (2025)
by: Kaplan, Aaron D., et al.
Published: (2025)
Ion correlations explain kinetic selectivity in diffusion-limited solid state synthesis reactions
by: Karan, Vir, et al.
Published: (2025)
by: Karan, Vir, 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)
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)
The Interplay Between Electron Localization, Magnetic Order, and Jahn-Teller Distortion that Dictates LiMnO$_2$ Phase Stability
by: Kam, Ronald L., et al.
Published: (2024)
by: Kam, Ronald L., et al.
Published: (2024)
LLaMP: Large Language Model Made Powerful for High-fidelity Materials Knowledge Retrieval and Distillation
by: Chiang, Yuan, et al.
Published: (2024)
by: Chiang, Yuan, et al.
Published: (2024)
Alkali‐Ion‐Assisted Activation of ε‐VOPO4 as a Cathode Material for Mg‐Ion Batteries
by: Dogancan Sari, et al.
Published: (2024)
by: Dogancan Sari, et al.
Published: (2024)
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)
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)
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)
MP-ALOE: An r2SCAN dataset for universal machine learning interatomic potentials
by: Kuner, Matthew C., et al.
Published: (2025)
by: Kuner, Matthew C., et al.
Published: (2025)
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)
Métodos fundamentales de economía matem tica / Alpha C. Chiang ; trad. Francisco Muñoz Murgui, Ramón Sala Garrido
by: Chiang, Alpha C
Published: (1987)
by: Chiang, Alpha C
Published: (1987)
Métodos fundamentales de economía matem tica / Alpha C. Chiang, Kevin Wainwright ; traducción, Francisco S nchez Fragoso, Raúl Arrioja Ju rez
by: Chiang, Alpha C
Published: (2006)
by: Chiang, Alpha C
Published: (2006)
Jobflow: Computational Workflows Made Simple
by: Rosen, Andrew S., et al.
Published: (2025)
by: Rosen, Andrew S., et al.
Published: (2025)
Jobflow: Computational Workflows Made Simple
by: Rosen, Andrew S., et al.
Published: (2026)
by: Rosen, Andrew S., et al.
Published: (2026)
Li+/H+ exchange in solid-state oxide Li-ion conductors
by: Li, Zhuohan, et al.
Published: (2025)
by: Li, Zhuohan, 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)
Identifying Crystal Structures Beyond Known Prototypes from X-ray Powder Diffraction Spectra
by: Parackal, Abhijith S., et al.
Published: (2023)
by: Parackal, Abhijith S., et al.
Published: (2023)
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)
In like flynn / Rhys Bowen
by: Bowen, Rhys
by: Bowen, Rhys
Machine-Learning-Guided Insights into Solid-Electrolyte Interphase Conductivity: Are Amorphous Lithium Fluorophosphates the Key?
by: Zhong, Peichen, et al.
Published: (2025)
by: Zhong, Peichen, et al.
Published: (2025)
CASCADE: Cumulative Agentic Skill Creation through Autonomous Development and Evolution
by: Huang, Xu, et al.
Published: (2025)
by: Huang, Xu, et al.
Published: (2025)
An equivariant graph neural network for the elasticity tensors of all seven crystal systems
by: Wen, Mingjian, et al.
Published: (2023)
by: Wen, Mingjian, et al.
Published: (2023)
The impact of spurious imaginary phonon modes on thermal properties of Metal-organic Frameworks
by: Kamath, Prathami Divakar, et al.
Published: (2026)
by: Kamath, Prathami Divakar, et al.
Published: (2026)
Dara: Automated multiple-hypothesis phase identification and refinement from powder X-ray diffraction
by: Fei, Yuxing, et al.
Published: (2025)
by: Fei, Yuxing, et al.
Published: (2025)
Revealing Dynamic Evolution of the Anode‐Electrolyte Interphase in All‐Solid‐State Batteries with Excellent Cyclability
by: Se Young Kim, et al.
Published: (2024)
by: Se Young Kim, et al.
Published: (2024)
Towards High-Voltage Cathodes for Zinc-Ion Batteries: Discovery Pipeline and Material Design Rules
by: Pascazio, Roberta, et al.
Published: (2025)
by: Pascazio, Roberta, et al.
Published: (2025)
Disordered Rocksalts as High‐Energy and Earth‐Abundant Li‐Ion Cathodes
by: Han‐Ming Hau, et al.
Published: (2025)
by: Han‐Ming Hau, et al.
Published: (2025)
Crystallographic Challenges in Microscopy of Multidomain Spinel Materials
by: Scherz, Ninon, et al.
Published: (2026)
by: Scherz, Ninon, et al.
Published: (2026)
AlabOS: A Python-based Reconfigurable Workflow Management Framework for Autonomous Laboratories
by: Fei, Yuxing, et al.
Published: (2024)
by: Fei, Yuxing, et al.
Published: (2024)
The ab initio amorphous materials database: Empowering machine learning to decode diffusivity
by: Zheng, Hui, et al.
Published: (2024)
by: Zheng, Hui, et al.
Published: (2024)
Revealing Short- and Long-range Li-ion diffusion in Li$_2$MnO$_3$ from finite-temperature dynamical mean field theory
by: Lee, Alex Taekyung, et al.
Published: (2026)
by: Lee, Alex Taekyung, et al.
Published: (2026)
Similar Items
-
Pushing the Pareto front of band gap and permittivity: ML-guided search for dielectric materials
by: Riebesell, Janosh, et al.
Published: (2024) -
Overcoming systematic softening in universal machine learning interatomic potentials by fine-tuning
by: Deng, Bowen, et al.
Published: (2024) -
TorchSim: An efficient atomistic simulation engine in PyTorch
by: Cohen, Orion, et al.
Published: (2025) -
Crystal structure prediction with host-guided inpainting generation and foundation potentials
by: Zhong, Peichen, et al.
Published: (2025) -
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)