Cover Image

DiffCrysGen: A Score-Based Diffusion Model for Design of Diverse Inorganic Crystalline Materials

Fuente: arXiv

Saved in:

Bibliographic Details
Main Authors:	Mal, Sourav, Mishra, Subhankar, Sen, Prasenjit
Format:	Preprint
Published:	2025
Subjects:	Materials Science Computational Physics
Online Access:	Acceder al recurso
Tags:	Add Tag No Tags, Be the first to tag this record!

Similar Items

DiffCrysGen: A Generative Diffusion Model for Accelerated Design of Inorganic Crystalline Materials
by: Mal, Sourav, et al.
Published: (2025)

Interfacial Control of both Magnetism and Polarization in a van der Waals Ferromagnet/Ferroelectric Heterostructure
by: Raj, Priyanshu, et al.
Published: (2025)

CrysToGraph: A Comprehensive Predictive Model for Crystal Materials Properties and the Benchmark
by: Wang, Hongyi, et al.
Published: (2024)

PolyCrysDiff: Controllable Generation of Three-Dimensional Computable Polycrystalline Material Structures
by: Chen, Chi, et al.
Published: (2026)

CrystalFlow: A Flow-Based Generative Model for Crystalline Materials
by: Luo, Xiaoshan, et al.
Published: (2024)

Open Materials 2024 (OMat24) Inorganic Materials Dataset and Models
by: Barroso-Luque, Luis, et al.
Published: (2024)

Cooperative Suppression Strategy for Dual Thermal Transport Channels in Crystalline Materials
by: Wu, Yu, et al.
Published: (2025)

Space Group Informed Transformer for Crystalline Materials Generation
by: Cao, Zhendong, et al.
Published: (2024)

Flow Matching for Accelerated Simulation of Atomic Transport in Crystalline Materials
by: Nam, Juno, et al.
Published: (2024)

Dimension-Dependent Critical Scaling Analysis and Emergent Competing Interaction Scales in a 2D Van der Waals magnet Cr$_{2}$Ge$_{2}$Te$_{6}$
by: Mahato, P. C., et al.
Published: (2024)

Accelerated Inorganic Electrides Discovery by Generative Models and Hierarchical Screening
by: Tao, Shuo, et al.
Published: (2026)

Integrated Experiment and Simulation Co-Design: A Key Infrastructure for Predictive Mesoscale Materials Modeling
by: Joshi, Shailendra P., et al.
Published: (2025)

Investigating Material Interface Diffusion Phenomena through Graph Neural Networks in Applied Materials
by: Zhao, Zirui, et al.
Published: (2024)

WyCryst: Wyckoff Inorganic Crystal Generator Framework
by: Zhu, Ruiming, et al.
Published: (2023)

The JARVIS Infrastructure is All You Need for Materials Design
by: Choudhary, Kamal
Published: (2025)

Analyzing Heat Transport in Crystalline Polymers in Real and Reciprocal Space
by: Reicht, Lukas, et al.
Published: (2025)

MatterGPT: A Generative Transformer for Multi-Property Inverse Design of Solid-State Materials
by: Chen, Yan, et al.
Published: (2024)

exa-AMD: An Exascale-Ready Framework for Accelerating the Discovery and Design of Functional Materials
by: Xia, Weiyi, et al.
Published: (2025)

Phonon-Mediated Chirality Transfer from Organic Cation to Inorganic lattice in Hybrid Perovskites
by: Ramesh, Sankaran, et al.
Published: (2025)

A Python-Based Approach to Sputter Deposition Simulations in Combinatorial Materials Science
by: Thelen, Felix, et al.
Published: (2024)

Reinforcement Fine-Tuning for Materials Design
by: Cao, Zhendong, et al.
Published: (2025)

Inverse Faraday effect in 3d, 4d, and 5d transition metals
by: Mishra, Shashi B.
Published: (2024)

Theoretical Study on MR-TADF Materials Based on CzBN
by: Bai, Jinpu, et al.
Published: (2025)

NH3 gas sensing over 2D Phosphorene sheet: A First-Principles Study
by: Kumar, Naresh, et al.
Published: (2024)

Estimation of Electronic Band Gap Energy From Material Properties Using Machine Learning
by: Barad, Sagar Prakash, et al.
Published: (2024)

Precision Multi-Mode Dielectric Characterization of a Crystalline Perovskite Enables Determination of the Temperature-Dependent Phase Transitions
by: Zhao, Zijun C., et al.
Published: (2020)

ProME: An Integrated Computational Platform for Material Properties at Extremes and Its Application in Multicomponent Alloy Design
by: Gao, Xingyu, et al.
Published: (2025)

Efficient spin to charge conversion and spin memory loss mitigation in oriented $\text{RuO}_2$ films
by: Mishra, Abhisek, et al.
Published: (2024)

A Universal Spin-Orbit-Coupled Hamiltonian Model for Accelerated Quantum Material Discovery
by: Zhong, Yang, et al.
Published: (2025)

CrysAtom: Distributed Representation of Atoms for Crystal Property Prediction
by: Mukherjee, Shrimon, et al.
Published: (2024)

Crystal Transformer Based Universal Atomic Embedding for Accurate and Transferable Prediction of Materials Properties
by: Jin, Luozhijie, et al.
Published: (2024)

Accelerated Inorganic Materials Design with Generative AI Agents
by: Takahara, Izumi, et al.
Published: (2025)

Exploring the Expertise of Large Language Models in Materials Science and Metallurgical Engineering
by: Bajan, Christophe, et al.
Published: (2025)

Effect of Grain Size and Local Chemical Order on Creep Resistance in MoNbTaW Refractory High-Entropy Alloy: A Molecular Dynamics Study
by: Zafar, Saifuddin, et al.
Published: (2024)

UniMatSim: A High-Throughput Materials Simulation Automation Framework Based on Universal Machine Learning Potentials
by: Xiang, Yanjin, et al.
Published: (2026)

Machine Learning-Driven Analytical Models for Threshold Displacement Energy Prediction in Materials
by: Duque, Rosty B. Martinez, et al.
Published: (2025)

Band Structure Modeling of Perovskite Materials with Quantum ESPRESSO for Multijunction Photovoltaic Cell Optimization
by: Kalaiselvi, Sutharsika Kumar
Published: (2025)

A Foundational Potential Energy Surface Dataset for Materials
by: Kaplan, Aaron D., et al.
Published: (2025)

Inverse Design of Inorganic Compounds with Generative AI
by: Kneiding, Hannes, et al.
Published: (2026)

Universal Numerical Simulation Model for Laser Material Processing
by: Otto, Andreas, et al.
Published: (2025)