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Solid-Liquid Interfacial Free Energy from Computer Simulations: Challenges and Recent Advances.

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Title: Solid-Liquid Interfacial Free Energy from Computer Simulations: Challenges and Recent Advances.
Authors: Di Pasquale N; Department of Industrial Chemistry 'T. Montanari', Università di Bologna, via Gobetti 85, 40129 Bologna, Italy., Algaba J; Laboratorio de Simulación Molecular y Química Computacional, CIQSO-Centro de Investigación en Química Sostenible and Departamento de Ciencias Integradas, Universidad de Huelva, 21006 Huelva, Spain., Montero de Hijes P; Faculty of Physics, University of Vienna, A-1090 Vienna, Austria., Sanchez-Burgos I; Maxwell Centre, Cavendish Laboratory, Department of Physics, University of Cambridge, J J Thomson Avenue, Cambridge CB3 0HE, United Kingdom., Tejedor AR; Yusuf Hamied Department of Chemistry, University of Cambridge, Lensfield Road, Cambridge CB2 1EW, United Kingdom.; Department of Physical Chemistry, Complutense University of Madrid, Avenida Complutense, Madrid 28040, Spain., Yeandel SR; Department of Materials Science and Engineering, University of Sheffield, Sheffield S1 3JD, United Kingdom., Blas FJ; Laboratorio de Simulación Molecular y Química Computacional, CIQSO-Centro de Investigación en Química Sostenible and Departamento de Ciencias Integradas, Universidad de Huelva, 21006 Huelva, Spain., Davidchack RL; School of Computing and Mathematical Sciences, University of Leicester, Leicester LE1 7RH, United Kingdom., Espinosa JR; Yusuf Hamied Department of Chemistry, University of Cambridge, Lensfield Road, Cambridge CB2 1EW, United Kingdom.; Department of Physical Chemistry, Complutense University of Madrid, Avenida Complutense, Madrid 28040, Spain., Freeman CL; Department of Materials Science and Engineering, University of Sheffield, Sheffield S1 3JD, United Kingdom., Harding JH; Department of Materials Science and Engineering, University of Sheffield, Sheffield S1 3JD, United Kingdom., Laird BB; Department of Chemistry, University of Kansas, Lawrence, Kansas 66045, United States., Sanz E; Department of Physical Chemistry, Complutense University of Madrid, Avenida Complutense, Madrid 28040, Spain., Vega C; Department of Physical Chemistry, Complutense University of Madrid, Avenida Complutense, Madrid 28040, Spain., Rovigatti L; Physics Department, Sapienza University of Rome, P.le A. Moro 5, 00185 Rome, Italy.
Source: Chemical reviews [Chem Rev] 2025 May 28; Vol. 125 (10), pp. 5003-5053. Date of Electronic Publication: 2025 May 11.
Publication Type: Journal Article; Review
Journal Info: Publisher: American Chemical Society Country of Publication: United States NLM ID: 2985134R Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1520-6890 (Electronic) Linking ISSN: 00092665 NLM ISO Abbreviation: Chem Rev Subsets: MEDLINE; PubMed not MEDLINE
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  Data: <searchLink fieldCode="AU" term="%22Di+Pasquale+N%22">Di Pasquale N</searchLink>; Department of Industrial Chemistry 'T. Montanari', Università di Bologna, via Gobetti 85, 40129 Bologna, Italy.<br /><searchLink fieldCode="AU" term="%22Algaba+J%22">Algaba J</searchLink>; Laboratorio de Simulación Molecular y Química Computacional, CIQSO-Centro de Investigación en Química Sostenible and Departamento de Ciencias Integradas, Universidad de Huelva, 21006 Huelva, Spain.<br /><searchLink fieldCode="AU" term="%22Montero+de+Hijes+P%22">Montero de Hijes P</searchLink>; Faculty of Physics, University of Vienna, A-1090 Vienna, Austria.<br /><searchLink fieldCode="AU" term="%22Sanchez-Burgos+I%22">Sanchez-Burgos I</searchLink>; Maxwell Centre, Cavendish Laboratory, Department of Physics, University of Cambridge, J J Thomson Avenue, Cambridge CB3 0HE, United Kingdom.<br /><searchLink fieldCode="AU" term="%22Tejedor+AR%22">Tejedor AR</searchLink>; Yusuf Hamied Department of Chemistry, University of Cambridge, Lensfield Road, Cambridge CB2 1EW, United Kingdom.; Department of Physical Chemistry, Complutense University of Madrid, Avenida Complutense, Madrid 28040, Spain.<br /><searchLink fieldCode="AU" term="%22Yeandel+SR%22">Yeandel SR</searchLink>; Department of Materials Science and Engineering, University of Sheffield, Sheffield S1 3JD, United Kingdom.<br /><searchLink fieldCode="AU" term="%22Blas+FJ%22">Blas FJ</searchLink>; Laboratorio de Simulación Molecular y Química Computacional, CIQSO-Centro de Investigación en Química Sostenible and Departamento de Ciencias Integradas, Universidad de Huelva, 21006 Huelva, Spain.<br /><searchLink fieldCode="AU" term="%22Davidchack+RL%22">Davidchack RL</searchLink>; School of Computing and Mathematical Sciences, University of Leicester, Leicester LE1 7RH, United Kingdom.<br /><searchLink fieldCode="AU" term="%22Espinosa+JR%22">Espinosa JR</searchLink>; Yusuf Hamied Department of Chemistry, University of Cambridge, Lensfield Road, Cambridge CB2 1EW, United Kingdom.; Department of Physical Chemistry, Complutense University of Madrid, Avenida Complutense, Madrid 28040, Spain.<br /><searchLink fieldCode="AU" term="%22Freeman+CL%22">Freeman CL</searchLink>; Department of Materials Science and Engineering, University of Sheffield, Sheffield S1 3JD, United Kingdom.<br /><searchLink fieldCode="AU" term="%22Harding+JH%22">Harding JH</searchLink>; Department of Materials Science and Engineering, University of Sheffield, Sheffield S1 3JD, United Kingdom.<br /><searchLink fieldCode="AU" term="%22Laird+BB%22">Laird BB</searchLink>; Department of Chemistry, University of Kansas, Lawrence, Kansas 66045, United States.<br /><searchLink fieldCode="AU" term="%22Sanz+E%22">Sanz E</searchLink>; Department of Physical Chemistry, Complutense University of Madrid, Avenida Complutense, Madrid 28040, Spain.<br /><searchLink fieldCode="AU" term="%22Vega+C%22">Vega C</searchLink>; Department of Physical Chemistry, Complutense University of Madrid, Avenida Complutense, Madrid 28040, Spain.<br /><searchLink fieldCode="AU" term="%22Rovigatti+L%22">Rovigatti L</searchLink>; Physics Department, Sapienza University of Rome, P.le A. Moro 5, 00185 Rome, Italy.
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