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Integrated Molecular Modeling and Experimental Studies: Applications to Advanced Material Design and Process Optimization

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Computational Materials, Chemistry, and Biochemistry: From Bold Initiatives to the Last Mile

Part of the book series: Springer Series in Materials Science ((SSMATERIALS,volume 284))

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Abstract

The synergy between experimental and computational modeling has yielded great benefits for both fields, in particular in the areas of material screening and applications, and the process design and optimization.

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Acknowledgements

We would like to thank for all the great dedicative works from many people from both PEER/MSC centers at Caltech, including (the PEER Center): Patrick J. Shuler, Zaiwei Li, Jihong Cheng, Weiqun Chen, Mark Haught, Aihui Zhang, Kangshi Wang, Yongfu Wu, Stefan Iglauer, Xiaohang Zhang, Xiangdong Fang, Sheng Wu, Xicai Liu, Xiaojun Chen; and (the MSC Center): Mario Blance, Jonas Oxgaard, Adri van Duin, Robert Nielsen, Seung Soon Jang, Shiang-Tai Lin, Zhitao Xu, Parbal Marti, Sam Cheung, Sanja Pudar; and many others whose names are not mentioned above.

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Authors and Affiliations

  1. Power Environmental Energy Research Institute (PEERi), 738 Arrow Grand Circle, Covina, CA, 91722, USA

    Yongchun Tang & Qisheng Ma

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  1. Yongchun Tang
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  2. Qisheng Ma
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Correspondence to Yongchun Tang .

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Editors and Affiliations

  1. School of Engineering and Applied Sciences, Harvard University, Cambridge, MA, USA

    Sadasivan Shankar

  2. Center for Computing Research, Sandia National Labs, Albuquerque, NM, USA

    Richard Muller

  3. Department of Chemistry, University of Washington, Seattle, WA, USA

    Thom Dunning

  4. Department of Chemistry, University of Hong Kong, Hong Kong, Hong Kong

    Guan Hua Chen

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Tang, Y., Ma, Q. (2021). Integrated Molecular Modeling and Experimental Studies: Applications to Advanced Material Design and Process Optimization. In: Shankar, S., Muller, R., Dunning, T., Chen, G.H. (eds) Computational Materials, Chemistry, and Biochemistry: From Bold Initiatives to the Last Mile. Springer Series in Materials Science, vol 284. Springer, Cham. https://doi.org/10.1007/978-3-030-18778-1_14

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