Topics in computational materials science / by 396040 Fong, C. Y.

Artificial intelligence in computational materials science by Kulik, Heather J., Tiwary, Pratyush

“…Abstract In this themed collection we aim to broadly review some of the critical, recent progress in the application of AI/ML to various aspects of computational materials science and materials science more broadly. …”
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Introduction to computational materials science : fundamentals to applications / by LeSar, R. (Richard), 1953-

Computational materials science : surfaces, interfaces, crystallization / by Ovrutsky, Anatoly M., Prokhoda, A. S., author, Rasshchupkyna, M. S., author

Study of Commodity VR for Computational Material Sciences by Katsumi Hagita, Shigenori Matsumoto, Koji Ota

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Editorial: Deep learning in computational materials science by Shaoping Xiao, Stéphane Pierre Alain Bordas, Tae-Yeon Kim

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ChatGPT for Computational Materials Science: A Perspective by Zijian Hong

“…We hope that this perspective will spur further interest in the potential applications of ChatGPT in computational materials science.…”
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Computational materials science : from basic principles to materials properties / by Hergert, W. (Wolfram), Ernst, A. (Arthur), Dane, M. (Markus)

Recent Progress in Computational Materials Science for Semiconductor Epitaxial Growth by Tomonori Ito, Toru Akiyama

“…Recent progress in computational materials science in the area of semiconductor epitaxial growth is reviewed. …”
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Computational Materials Science : selected, peer reviewed papers from the 2011 International Conference on Computational Materials Science (CMS 2011), in April 17-18, 2011, Guangzhou, China / by International Conference on Computational Materials Science (2011 : Guangzhou, China) 530714, Bu, Jinglong 530695, William, Zhou 530715, Xiong, Feng 530716

Crystal Structure Prediction and Performance Assessment of Hydrogen Storage Materials: Insights from Computational Materials Science by Xi Yang, Yuting Li, Yitao Liu, Qian Li, Tingna Yang, Hongxing Jia

“…However, the discovery and optimization of high-performance storage materials remain a significant challenge due to the complex interplay of structural, thermodynamic and kinetic factors. Computational materials science has emerged as a powerful tool to accelerate the design and development of novel hydrogen storage materials by providing atomic-level insights into the storage mechanisms and guiding experimental efforts. …”
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Application of a phase-field model to ferroelectrics by Renuka-Balakrishna, A

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Impact of adsorption on thermal conductivity dynamics of adsorbate and adsorbent: Molecular dynamics study of methane and Cu-BTC by Haonan Chen, Sagar Saren, Xuetao Liu, Ji Hwan Jeong, Takahiko Miyazaki, Young-Deuk Kim, Kyaw Thu

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Ab initio theory of polarons by Sio, WH

Subjects: “…Computational materials science…”

Learning the stress-strain fields in digital composites using Fourier neural operator by Meer Mehran Rashid, Tanu Pittie, Souvik Chakraborty, N.M. Anoop Krishnan

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A New Group of 2D Non‐van der Waals Materials with Ultra Low Exfoliation Energies by Tom Barnowsky, Arkady V. Krasheninnikov, Rico Friedrich

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The quantum anomalous Hall effect in two-dimensional hexagonal monolayers studied by first-principles calculations by Lixin Zhang, Hongxin Chen, Junfeng Ren, Xiaobo Yuan

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Predicting battery impedance spectra from 10-second pulse tests under 10 Hz sampling rate by Xiaopeng Tang, Xin Lai, Qi Liu, Yuejiu Zheng, Yuanqiang Zhou, Yunjie Ma, Furong Gao

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Photonic Crystals: Numerical Predictions of Manufacturable Dielectric Composite Architectures by Carter, W. Craig., Maldovan, Martin., Maskaly, Karlene.

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Feature analysis aided design of lightweight heat sink from network structures by Tianlin Luo, Changliang Zhu, Baowen Li, Xiangying Shen, Guimei Zhu

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