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Crystal Structure Prediction (CSP)

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2 results in Keywords: Crystal Structure Prediction (CSP)

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Category: Theoretical and Computational Chemistry

Efficient Molecular Crystal Structure Prediction and Stability Assessment with AIMNet2 Neural Network Potentials

, Authors: Kamal Singh Nayal, Dana O’Connor, Roman Zubatyuk, Dylan M. Anstine, Yi Yang, Rithwik Tom, Wenda Deng, Kehan Tang, Noa Marom, Olexandr Isayev

Version 1 posted 25 June 2025

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Category: Materials Science

CrysText: A Generative AI Approach for Text-Conditioned Crystal Structure Generation using LLM

, Authors: Trupti Mohanty, Maitrey Mehta, Hasan M. Sayeed, Vivek Srikumar, Taylor D. Sparks

Version 1 posted 10 December 2024

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ISSN 2573-2293 (Online) ChemRxiv Archive

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