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| Paper | Published | Area | Tags | Intel | Citations |
|---|---|---|---|---|---|
Search and browse arXiv CS/AI/ML papers, enriched with AI-generated insights.
Generate novel research ideas grounded in real arXiv papers with Brainstorm.
| Paper | Published | Area | Tags | Intel | Citations |
|---|---|---|---|---|---|
Search and browse arXiv CS/AI/ML papers, enriched with AI-generated insights.
Generate novel research ideas grounded in real arXiv papers with Brainstorm.
| Paper | Published | Area | Tags | Intel | Citations |
|---|---|---|---|---|---|
Showing 1-30 of 41 papers (page 1 of 2)路 222 ms
| Paper | Published | Area | Tags | Intel | Citations |
|---|---|---|---|---|---|
| A fully differentiable framework for training proxy Exchange Correlation Functionals for periodic systems Aryan Amit Barsainyan, Bharath Ramsundar, Rakshit Kumar Singh Published: 2026-02-17Area: cond-mat.mtrl-sciCitations: 12 Tags: ai-safety, cond-matmtrl-sci, preprint | 2026-02-17 | cond-mat.mtrl-sci | ai-safety, cond-matmtrl-sci, preprint | E13 / R11 (92%) | 12 |
| AI-Driven Structure Refinement of X-ray Diffraction Bin Cao, Jiaqiang Huang, Lu-Tao Weng, Qian Zhang Published: 2026-02-18Area: cond-mat.mtrl-sciCitations: - Tags: ai-safety, cond-matmtrl-sci, preprint | 2026-02-18 | cond-mat.mtrl-sci | ai-safety, cond-matmtrl-sci, preprint | E10 / R7 (91%) | - |
| Inelastic Constitutive Kolmogorov-Arnold Networks: A generalized framework for automated discovery of interpretable inelastic material models Chenyi Ji, Christian J. Cyron, Hagen Holthusen, Kevin Linka Published: 2026-02-19Area: cond-mat.mtrl-sciCitations: - Tags: ai-safety, cond-matmtrl-sci, preprint | 2026-02-19 | cond-mat.mtrl-sci | ai-safety, cond-matmtrl-sci, preprint | E10 / R9 (91%) | - |
| NextCrystal: a Symmetry-Driven Generative Framework for Crystal Structure Prediction Jinming Mu, Lixin He, Shi Yin, Xudong Zhu Published: 2026-02-19Area: cond-mat.mtrl-sciCitations: - Tags: ai-safety, cond-matmtrl-sci, preprint | 2026-02-19 | cond-mat.mtrl-sci | ai-safety, cond-matmtrl-sci, preprint | E10 / R7 (90%) | - |
| Constrained Diffusion for Accelerated Structure Relaxation of Inorganic Solids with Point Defects Ankita Biswas, Ferdinando Fioretto, Jacob K. Christopher, Jingyi Cui Published: 2026-02-22Area: cond-mat.mtrl-sciCitations: 41 Tags: ai-safety, cond-matmtrl-sci, preprint | 2026-02-22 | cond-mat.mtrl-sci | ai-safety, cond-matmtrl-sci, preprint | E7 / R5 (91%) | 41 |
| AI-Driven Phase Identification from X-ray Hyperspectral Imaging of cycled Na-ion Cathode Materials Arnaud Demorti猫re, Chlo茅 Pablos, Fay莽al Adrar, Fran莽ois Cadiou Published: 2026-03-08Area: cond-mat.mtrl-sciCitations: - Tags: ai-safety, cond-matmtrl-sci, preprint | 2026-03-08 | cond-mat.mtrl-sci | ai-safety, cond-matmtrl-sci, preprint | E4 / R2 (95%) | - |
| From Phase Prediction to Phase Design: A ReAct Agent Framework for High-Entropy Alloy Discovery Iman Peivaste, Salim Belouettar Published: 2026-03-10Area: cond-mat.mtrl-sciCitations: - Tags: ai-safety, cond-matmtrl-sci, preprint | 2026-03-10 | cond-mat.mtrl-sci | ai-safety, cond-matmtrl-sci, preprint | E4 / R3 (95%) | - |
| Proof-Carrying Materials: Falsifiable Safety Certificates for Machine-Learned Interatomic Potentials Abhinaba Basu, Pavan Chakraborty Published: 2026-03-12Area: cond-mat.mtrl-sciCitations: - Tags: ai-safety, cond-matmtrl-sci, preprint | 2026-03-12 | cond-mat.mtrl-sci | ai-safety, cond-matmtrl-sci, preprint | E6 / R3 (98%) | - |
| Agentic workflow enables the recovery of critical materials from complex feedstocks via selective precipitation Andrew Ritchhart, Dan Thien Nguyen, Elias Nakouzi, Krista Kulesa Published: 2026-03-16Area: cond-mat.mtrl-sciCitations: - Tags: ai-safety, cond-matmtrl-sci, preprint | 2026-03-16 | cond-mat.mtrl-sci | ai-safety, cond-matmtrl-sci, preprint | E8 / R8 (90%) | - |
| LLM-Driven Discovery of High-Entropy Catalysts via Retrieval-Augmented Generation AI Scientists, Danqing Yin, Xinyi Lin, Ying Guo Published: 2026-03-16Area: cond-mat.mtrl-sciCitations: - Tags: ai-safety, cond-matmtrl-sci, preprint | 2026-03-16 | cond-mat.mtrl-sci | ai-safety, cond-matmtrl-sci, preprint | E5 / R3 (95%) | - |
| Machine intelligence supports the full chain of 2D dendrite synthesis Fangping Ouyang, Huanhuan Xing, Jin Zhang, Junjie Jiang Published: 2026-03-17Area: cond-mat.mtrl-sciCitations: - Tags: ai-safety, cond-matmtrl-sci, preprint | 2026-03-17 | cond-mat.mtrl-sci | ai-safety, cond-matmtrl-sci, preprint | E5 / R3 (95%) | - |
| AI-ready design of realistic 2D materials and interfaces with Mat3ra-2D Kamal Choudhary, Timur Bazhirov, Vsevolod Biryukov Published: 2026-03-29Area: cond-mat.mtrl-sciCitations: - Tags: ai-safety, cond-matmtrl-sci, preprint | 2026-03-29 | cond-mat.mtrl-sci | ai-safety, cond-matmtrl-sci, preprint | E5 / R4 (94%) | - |
| PATHFINDER: Multi-objective discovery in structural and spectral spaces Boris N. Slautin, Hiroshi Funakubo, Kamyar Barakati, Sergei V. Kalinin Published: 2026-04-05Area: cond-mat.mtrl-sciCitations: - Tags: ai-safety, cond-matmtrl-sci, preprint | 2026-04-05 | cond-mat.mtrl-sci | ai-safety, cond-matmtrl-sci, preprint | E5 / R3 (95%) | - |
| Finetuning-Free Diffusion Model with Adaptive Constraint Guidance for Inorganic Crystal Structure Generation Auguste de Lambilly, David Portehault, Florence d'Alch茅-Buc, Guillaume Lambard Published: 2026-04-14Area: cond-mat.mtrl-sciCitations: - Tags: ai-safety, cond-matmtrl-sci, preprint | 2026-04-14 | cond-mat.mtrl-sci | ai-safety, cond-matmtrl-sci, preprint | E5 / R3 (94%) | - |
| Exascale Multi-Task Graph Foundation Models for Imbalanced, Multi-Fidelity Atomistic Data Ashwin M. Aji, Benajmin Stump, Isaac Lyngaas, Jong Youl Choi Published: 2026-04-15Area: cond-mat.mtrl-sciCitations: - Tags: ai-safety, cond-matmtrl-sci, preprint | 2026-04-15 | cond-mat.mtrl-sci | ai-safety, cond-matmtrl-sci, preprint | E10 / R5 (96%) | - |
| ChemGraph-XANES: An Agentic Framework for XANES Simulation and Analysis Cong Liu, Jiayi Xu, Luke N. Pretzie, Murat Keceli Published: 2026-04-17Area: cond-mat.mtrl-sciCitations: - Tags: ai-safety, cond-matmtrl-sci, preprint | 2026-04-17 | cond-mat.mtrl-sci | ai-safety, cond-matmtrl-sci, preprint | E10 / R8 (98%) | - |
| Multimodal Transformer for Sample-Aware Prediction of Metal-Organic Framework Properties Jaewoong Lee, Jihan Kim, Seunghee Han Published: 2026-04-21Area: cond-mat.mtrl-sciCitations: - Tags: ai-safety, cond-matmtrl-sci, preprint | 2026-04-21 | cond-mat.mtrl-sci | ai-safety, cond-matmtrl-sci, preprint | E11 / R6 (98%) | - |
| Predicting Scale-Up of Metal-Organic Framework Syntheses with Large Language Models Bin Feng, Harrison Kayal, Hongrui Sheng, Kyle Smith Published: 2026-04-21Area: cond-mat.mtrl-sciCitations: - Tags: ai-safety, cond-matmtrl-sci, preprint | 2026-04-21 | cond-mat.mtrl-sci | ai-safety, cond-matmtrl-sci, preprint | E5 / R3 (97%) | - |
| Expanding the extreme-k dielectric materials space through physics-validated generative reasoning Hossain Hridoy, Md Shafayat Hossain, Tahiya Chowdhury Published: 2026-04-22Area: cond-mat.mtrl-sciCitations: - Tags: ai-safety, cond-matmtrl-sci, preprint | 2026-04-22 | cond-mat.mtrl-sci | ai-safety, cond-matmtrl-sci, preprint | E6 / R4 (96%) | - |
| Generative Discovery of Magnetic Insulators under Competing Physical Constraints Md Shafayat Hossain, Qiulin Zeng, Tahiya Chowdhury Published: 2026-04-22Area: cond-mat.mtrl-sciCitations: - Tags: ai-safety, cond-matmtrl-sci, preprint | 2026-04-22 | cond-mat.mtrl-sci | ai-safety, cond-matmtrl-sci, preprint | E6 / R5 (97%) | - |
| LLM-guided phase diagram construction through high-throughput experimentation Guillaume Deffrennes, Haruhiko Morito, Kei Terayama, Koji Tsuda Published: 2026-04-22Area: cond-mat.mtrl-sciCitations: - Tags: ai-safety, cond-matmtrl-sci, preprint | 2026-04-22 | cond-mat.mtrl-sci | ai-safety, cond-matmtrl-sci, preprint | E9 / R5 (98%) | - |
| InvDesMobility: a reliability-gated first-principles feedback framework for closed-loop materials discovery Peng-Jie Guo, Wei Ji, Wen-Kao Li, Ze-Feng Gao Published: 2026-06-15Area: cond-mat.mtrl-sciCitations: - Tags: ai-safety, cond-matmtrl-sci, preprint | 2026-06-15 | cond-mat.mtrl-sci | ai-safety, cond-matmtrl-sci, preprint | E8 / R4 (95%) | - |
| Physics-Informed Attention Mechanism and Generalization Capability of Deep Learning-Based Grain Growth Evolution Prediction Marc Bernacki, Pungponhavoan Tep Published: 2026-06-15Area: cond-mat.mtrl-sciCitations: - Tags: ai-safety, cond-matmtrl-sci, preprint | 2026-06-15 | cond-mat.mtrl-sci | ai-safety, cond-matmtrl-sci, preprint | E7 / R4 (93%) | - |
| AdsMind: A Physics-Grounded Multi-Agent System for Self-Correcting Discovery of Adsorption Configurations on Heterogeneous Catalyst Surfaces Bowen Zhang, Edvin Fako, Junwu Chen, Lixue Cheng Published: 2026-06-17Area: cond-mat.mtrl-sciCitations: - Tags: ai-safety, cond-matmtrl-sci, preprint | 2026-06-17 | cond-mat.mtrl-sci | ai-safety, cond-matmtrl-sci, preprint | E13 / R6 (99%) | - |
| Optimizing Expert-Designed Crystal Graph Networks for Band-Gap Prediction with an Autonomous LLM Research Loop Boris I. Yakobson, Chenmu Zhang Published: 2026-06-29Area: cond-mat.mtrl-sciCitations: - Tags: ai-safety, cond-matmtrl-sci, preprint | 2026-06-29 | cond-mat.mtrl-sci | ai-safety, cond-matmtrl-sci, preprint | E7 / R4 (96%) | - |
| From Materials Database to Materials Bank: Assetizing Data for AI Driven Materials Innovation Chenyao Ma, Di Zhang, Hao Li, Huan Gu Published: 2026-06-30Area: cond-mat.mtrl-sciCitations: 15 Tags: ai-safety, cond-matmtrl-sci, preprint | 2026-06-30 | cond-mat.mtrl-sci | ai-safety, cond-matmtrl-sci, preprint | E9 / R9 (90%) | 15 |
| From Materials Database to Materials Bank: Assetizing Data for AI Driven Materials Innovation Chenyao Ma, Di Zhang, Hao Li, Huan Gu Published: 2026-06-30Area: cond-mat.mtrl-sciCitations: - Tags: ai-safety, cond-matmtrl-sci, preprint | 2026-06-30 | cond-mat.mtrl-sci | ai-safety, cond-matmtrl-sci, preprint | E6 / R5 (92%) | - |
| Bayesian Optimization of Genetic Algorithm Hyperparameters in a Multi-Fidelity Framework for Efficient Lattice Material Design Christina Schenk, Maciej Haranczyk, Sergei Zorkaltsev Published: 2026-07-08Area: cond-mat.mtrl-sciCitations: - Tags: ai-safety, cond-matmtrl-sci, preprint | 2026-07-08 | cond-mat.mtrl-sci | ai-safety, cond-matmtrl-sci, preprint | E10 / R9 (89%) | - |
| The evolution of AI from image interpretation toward scientific inference in nanoparticle electron microscopy Evropi Toulkeridou, Jiafei Li, Leonardo Lari, Panagiotis Grammatikopoulos Published: 2026-07-11Area: cond-mat.mtrl-sciCitations: - Tags: ai-safety, cond-matmtrl-sci, preprint | 2026-07-11 | cond-mat.mtrl-sci | ai-safety, cond-matmtrl-sci, preprint | E10 / R7 (89%) | - |
| Chemical filters for ultra-high-throughput materials screening and generation Anthony Onwuli, Aron Walsh, Hyunsoo Park, Kinga O. Mastej Published: 2026-07-20Area: cond-mat.mtrl-sciCitations: 27 Tags: ai-safety, cond-matmtrl-sci, preprint | 2026-07-20 | cond-mat.mtrl-sci | ai-safety, cond-matmtrl-sci, preprint | E11 / R11 (91%) | 27 |