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Related papers: Generative AI for Crystal Structures: A Review

200 papers

Characterizing materials with electron micrographs poses significant challenges for automated labeling due to the complex nature of nanomaterial structures. To address this, we introduce a fully automated, end-to-end pipeline that leverages…

Computer Vision and Pattern Recognition · Computer Science 2024-09-20 Sakhinana Sagar Srinivas , Geethan Sannidhi , Sreeja Gangasani , Chidaksh Ravuru , Venkataramana Runkana

Generative AIs produce creative outputs in the style of human expression. We argue that encounters with the outputs of modern generative AI models are mediated by the same kinds of aesthetic judgments that organize our interactions with…

Computers and Society · Computer Science 2023-09-25 Jessica Hullman , Ari Holtzman , Andrew Gelman

Crystal structure generation is fundamental to materials science, enabling the discovery of novel materials with desired properties. While existing approaches leverage Large Language Models (LLMs) through extensive fine-tuning on materials…

The integration of generative AI in visual art has revolutionized not only how visual content is created but also how AI interacts with and reflects the underlying domain knowledge. This survey explores the emerging realm of diffusion-based…

Artificial Intelligence · Computer Science 2024-08-23 Bingyuan Wang , Qifeng Chen , Zeyu Wang

Large language models (LLMs) have reshaped the research landscape by enabling new approaches to knowledge retrieval and creative ideation. Yet their application in discipline-specific experimental science, particularly in highly…

Machine Learning · Computer Science 2025-08-12 Rachel K. Luu , Jingyu Deng , Mohammed Shahrudin Ibrahim , Nam-Joon Cho , Ming Dao , Subra Suresh , Markus J. Buehler

This chapter presents methodological reflections on the necessity and utility of artificial intelligence in generative design. Specifically, the chapter discusses how generative design processes can be augmented by AI to deliver in terms of…

Artificial Intelligence · Computer Science 2023-10-16 Pirouz Nourian , Shervin Azadi , Roy Uijtendaal , Nan Bai

Methodology adapted from data science sparked the field of materials informatics, and materials databases are at the heart of it. Applying artificial intelligence to these databases will allow the prediction of properties of complex organic…

Materials Science · Physics 2021-12-10 R. Matthias Geilhufe , Bart Olsthoorn , Alexander V. Balatsky

Advances in Generative AI tools have allowed designers to manipulate existing 3D models using text or image-based prompts, enabling creators to explore different design goals. Photochromic color-changing systems, on the other hand, allow…

Human-Computer Interaction · Computer Science 2024-04-29 Yunyi Zhu , Faraz Faruqi , Stefanie Mueller

Creation of nanomaterials with specific morphology remains a complex experimental process, even though there is a growing demand for these materials in various industry sectors. This study explores the potential of AI to predict the…

Machine Learning · Computer Science 2024-08-01 Ivan Dubrovsky , Andrei Dmitrenko , Aleksei Dmitrenko , Nikita Serov , Vladimir Vinogradov

Generative models for materials, especially inorganic crystals, hold potential to transform the theoretical prediction of novel compounds and structures. Advancement in this field depends on robust benchmarks and minimal, information-rich…

Recent advances in generative AI have brought incredible breakthroughs in several areas, including medical imaging. These generative models have tremendous potential not only to help safely share medical data via synthetic datasets but also…

After the release of several widely adopted artificial intelligence (AI) literacy guidelines by 2021, the unprecedented rise of generative AI since 2023 has transformed the way we work and acquire information worldwide. Unlike traditional…

Human-Computer Interaction · Computer Science 2025-10-21 Chengzhi Zhang , Brian Magerko

Materials discovery, especially for applications that require extreme operating conditions, requires extensive testing that naturally limits the ability to inquire the wealth of possible compositions. Machine Learning (ML) has nowadays a…

Materials Science · Physics 2023-06-21 Dario Massa , Daniel Cieśliński , Amirhossein Naghdi , Stefanos Papanikolaou

For over half a century, computer-aided structural elucidation systems (CASE) for organic compounds have relied on complex expert systems with explicitly programmed algorithms. These systems are often computationally inefficient for complex…

Chemical Physics · Physics 2024-10-28 Xiaofeng Tan

A new class of tools, colloquially called generative AI, can produce high-quality artistic media for visual arts, concept art, music, fiction, literature, video, and animation. The generative capabilities of these tools are likely to…

Deep learning has recently been applied to various research areas of design optimization. This study presents the need and effectiveness of adopting deep learning for generative design (or design exploration) research area. This work…

Machine Learning · Computer Science 2020-05-27 Sangeun Oh , Yongsu Jung , Seongsin Kim , Ikjin Lee , Namwoo Kang

Artificial intelligence (AI) is rapidly emerging as a new paradigm of scientific discovery, namely data-driven science, across nearly all scientific disciplines. In materials science and engineering, AI has already begun to exert a…

This study looks at how generative artificial intelligence (AI) can revolutionize marketing, product development, and research. It discusses the latest developments in the field, easy-to-use resources, and moral and social hazards. In…

Artificial Intelligence · Computer Science 2023-11-23 Saad Shaikh , Rajat bendre , Sakshi Mhaske

Generative Artificial Intelligence (GenAI) has emerged as a fundamental component of intelligent interactive systems, enabling the automatic generation of multimodal media content. The continuous enhancement in the quality of Artificial…

Human-Computer Interaction · Computer Science 2024-07-23 Yongquan Hu , Dawen Zhang , Mingyue Yuan , Kaiqi Xian , Don Samitha Elvitigala , June Kim , Gelareh Mohammadi , Zhenchang Xing , Xiwei Xu , Aaron Quigley

Context: Generative Artificial Intelligence (GenAI) is transforming much of software development, yet its application in software architecture is still in its infancy, and no prior study has systematically addressed the topic. Aim: We aim…