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Books > Computing & IT > General theory of computing
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Computational Approaches for Chemistry Under Extreme Conditions (Hardcover, 1st ed. 2019)
Loot Price: R3,718
Discovery Miles 37 180
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Computational Approaches for Chemistry Under Extreme Conditions (Hardcover, 1st ed. 2019)
Series: Challenges and Advances in Computational Chemistry and Physics, 28
Expected to ship within 10 - 15 working days
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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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