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| 1 | Big Data Creates New Opportunities for Materials Research: A Review on Methods and Applications of Machine Learning for Materials Design显示文摘Materials development has historically been driven by human needs and desires, and this is likely to con- tinue in the foreseeable future. The global population is expected to reach ten billion by 2050, which will promote increasingly large demands for clean and high-ef ciency energy, personalized consumer prod- ucts, secure food supplies, and professional healthcare. New functional materials that are made and tai- lored for targeted properties or behaviors will be the key to tackling this challenge. Traditionally, advanced materials are found empirically or through experimental trial-and-error approaches. As big data generated by modern experimental and computational techniques is becoming more readily avail- able, data-driven or machine learning (ML) methods have opened new paradigms for the discovery and rational design of materials. In this review article, we provide a brief introduction on various ML methods and related software or tools. Main ideas and basic procedures for employing ML approaches in materials research are highlighted. We then summarize recent important applications of ML for the large-scale screening and optimal design of polymer and porous materials, catalytic materials, and energetic mate- rials. Finally, concluding remarks and an outlook are provided. | Teng Zhou Zhen Song Kai Sundmacher | 2019 | Engineering2019，5，6： | 21 |
| 2 | Hybrid Data-Driven and Mechanistic Modeling Approaches for Multiscale Material and Process Design显示文摘The world’s increasing population requires the process industry to produce food,fuels,chemicals,and consumer products in a more efficient and sustainable way.Functional process materials lie at the heart of this challenge.Traditionally,new advanced materials are found empirically or through trial-and-error approaches.As theoretical methods and associated tools are being continuously improved and computer power has reached a high level,it is now efficient and popular to use computational methods to guide material selection and design.Due to the strong interaction between material selection and the operation of the process in which the material is used,it is essential to perform material and process design simultaneously.Despite this significant connection,the solution of the integrated material and process design problem is not easy because multiple models at different scales are usually required.Hybrid modeling provides a promising option to tackle such complex design problems.In hybrid modeling,the material properties,which are computationally expensive to obtain,are described by data-driven models,while the well-known process-related principles are represented by mechanistic models.This article highlights the significance of hybrid modeling in multiscale material and process design.The generic design methodology is first introduced.Six important application areas are then selected:four from the chemical engineering field and two from the energy systems engineering domain.For each selected area,state-ofthe-art work using hybrid modeling for multiscale material and process design is discussed.Concluding remarks are provided at the end,and current limitations and future opportunities are pointed out. | Teng Zhou Rafiqul Gani Kai Sundmacher | 2021 | Engineering2021，7，9： | 2 |
| 3 | Black diaphragm aniridia intraocular lens for congenital aniridia:long-term follow-up显示文摘 | Reinhard T Engelhardt S Sundmacher R | 2000 | J Cataract Refract Surg2000，26，3： | 1 |
| 4 | Avidity of influenza virus: Model-based identification of adsorption kinetics from surface plasmon resonance experiments显示文摘 | Wenjing Wang Michael W. Wolff Udo Reichl Kai Sundmacher | 2013 | Journal of Chromatography A2013，，： | 1 |
| 5 | A comparative investigation of FK506 and cyclosporin A in murine corneal transplantation显示文摘 | Reis A Reinhard T Sundmacher R | | 0，，10： | 1 |
| 6 | Current status of and recent development in the direct methanol fuel cell显示文摘 | Schult Z T Zhou S Sundmacher K | 2001 | Chem Eng Technol2001，24，12： | 1 |
| 7 | Dynamics of the direct mathanoil fuel cell(DMFC): experiments and modelbased analysis显示文摘 | Sundmacher K Schultz T Zhou S | 2000 | Chemical Engineering Science2000，56，： | 1 |
| 8 | Black diaphragm intraocular lens in congenital aniridia显示文摘 | Sundmacher T Reinhard T Althans C | 1994 | Ger J Ophthalmol1994，3，45： | 1 |
| 9 | Successful treatment of ocular invasive mould infection(fusariosis) with the new antifungal agent voriconazole显示文摘 | Reis A Sundmacher R Tintelnot K | 2000 | Br J Ophthalmol2000，84，8： | 1 |
| 10 | Synthesis of cyclohexanol by three-phase reactive distillation: influence of kinetics on phase equilibria 显示文摘 | Steyer F Zhiwen Q Sundmacher K | 2002 | Chem Eng Sci2002，57，9： | 1 |
| 11 | Black-diaphragm intraocular lens for correction of aniridia显示文摘 | Sundmacher R Reinhard T Althans C | 1994 | Ophthalmic Surg1994，25，： | 1 |
| 12 | Factors influencing corneal endothelium in organ cultures during transport显示文摘 | Rosenbaum K Reinhard T Sundmacher R | 2004 | Ophthalmology2004，101，12： | 1 |
| 13 | Black-diaphragm intraocular lens for correction of aniridia显示文摘 | Sundmacher R Reinhard T Althaus C | 1994 | Ophthalmic Surg1994，25，3： | 1 |
| 14 | Black diaphragm aniridia intraocular lens for congenital aniridia: long-term follow-up显示文摘 | Reinhard T Engelhardt S Sundmacher R | 2000 | J Cataract Refract Surg2000，26，3： | 1 |
| 15 | Recent Advances in Enzymatic Fuel Cells:Experiments and Modelling显示文摘 | Ivannov I Vidakovic-Koch T Sundmacher K | 2010 | Energies2010，3，： | 1 |
| 16 | Black diaphragm aniridia intraocular lens for congenital aniridia: long-term follow-up 显示文摘 | Reinhard T Engelhardt S Sundmacher R | 2000 | J Cataract Refract Surg2000，26，： | 1 |
| 17 | Three years’ experience with homologous central limbo-keratoplasty in the treatment of limbal stem cell deficiency显示文摘 | Rainer Sundmacher Thomas Reinhard Christoph Althaus | 1997 | Der Ophthalmologe1997，，12： | 1 |
| 18 | Successful treatment of ocular invasive mould infection (fusariosis) with the new antifungal agent voriconazole显示文摘 | Sundmacher R Tintelnot K | 2000 | Br J Ophthalmol2000，84，： | 1 |
| 19 | A novel reactive distillation process for the indirect hydration of cyclohexene to cyelohexanol using a reactive entrainer显示文摘 | Steyer F Freund H Sundmacher K | 2008 | Ind Eng Chem Res2008，47，4： | 1 |
| 20 | Corneal endothelitis and clinical classification 显示文摘 | Sundmacher R | 1984 | KlinMonatsbl Augenhellk1984，184，： | 1 |
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