Computational Approaches for Chemistry Under Extreme Conditions: 28 (Challenges and Advances in Computational Chemistry and Physics) - Tapa dura

 
9783030055998: Computational Approaches for Chemistry Under Extreme Conditions: 28 (Challenges and Advances in Computational Chemistry and Physics)
Tapa dura
ISBN 10: 303005599X ISBN 13: 9783030055998
Editorial: Springer, 2019

Sinopsis

This book presents recently developed computational approaches for the study of reactive materials under extreme physical and thermodynamic conditions. It delves into cutting edge developments in simulation methods for reactive materials, including quantum calculations spanning nanometer length scales and picosecond timescales, to reactive force fields, coarse-grained approaches, and machine learning methods spanning microns and nanoseconds and beyond. These methods are discussed in the context of a broad range of fields, including prebiotic chemistry in impacting comets, studies of planetary interiors, high pressure synthesis of new compounds, and detonations of energetic materials. The book presents a pedagogical approach for these state-of-the-art approaches, compiled into a single source for the first time. Ultimately, the volume aims to make valuable research tools accessible to experimentalists and theoreticians alike for any number of scientific efforts, spanning many different types of compounds and reactive conditions.

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Acerca del autor

Dr. Nir Goldman is a scientist based in the Materials Science Division, Physical and Life Sciences Directorate, Lawrence Livermore National Laboratory, USA. His current research interests involve the development of novel approaches to quantum and classical molecular dynamics simulations of chemical reactivity within condensed matter. This includes corrosion processes, soft matter degradation phenomena, the modeling of laser-driven dynamic compression experiments, and astrobiological synthesis of life-building compounds under extreme thermodynamic conditions.

De la contraportada

This book presents recently developed computational approaches for the study of reactive materials under extreme physical and thermodynamic conditions. It delves into cutting edge developments in simulation methods for reactive materials, including quantum calculations spanning nanometer length scales and picosecond timescales, to reactive force fields, coarse-grained approaches, and machine learning methods spanning microns and nanoseconds and beyond. These methods are discussed in the context of a broad range of fields, including prebiotic chemistry in impacting comets, studies of planetary interiors, high pressure synthesis of new compounds, and detonations of energetic materials. The book presents a pedagogical approach for these state-of-the-art approaches, compiled into a single source for the first time. Ultimately, the volume aims to make valuable research tools accessible to experimentalists and theoreticians alike for any number of scientific efforts, spanning many different types of compounds and reactive conditions.

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Editorial
Springer
Año de publicación
2019
Idioma
Inglés
ISBN 10 
303005599X
ISBN 13 
9783030055998
Encuadernación
Tapa dura
Número de edición
1
Número de páginas
304
Editor
Goldman Nir
Contacto del fabricante
no disponible
Persona responsable
CMN Printpool Inh. Mathis Neumann
https://www.also.com/ec/cms5/en_6000/6000/index.jsp

Friedrich-Karl-Str. 9
Hamburg
Alemania

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9783030056018: Computational Approaches for Chemistry Under Extreme Conditions

Edición Destacada

ISBN 10:  3030056015 ISBN 13:  9783030056018
Editorial: Springer, 2019
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