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World Scientific Publishing Company FMO Method in GAMESS Guide - World Scientific Publishing

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Description

Master the Fragment Molecular Orbital (FMO) method with this comprehensive guide from World Scientific Publishing Company. This book addresses a significant gap in chemical literature by providing a user-friendly description of FMO usage within the widely used GAMESS open-source software. As a fast linear-scaling quantum-mechanical method, FMO is utilized by chemists and physicists worldwide to extract a wealth of properties from fragments. This data is essential for advanced applications in data mining and machine learning. This guide serves as a necessary resource for researchers who need to navigate the complexities of GAMESS to solve various quantum-chemical problems and utilize fragment properties effectively.

Key Features

Provides a detailed guide on using the Fragment Molecular Orbital (FMO) method within the GAMESS software.

Explains the application of fast linear-scaling quantum-mechanical methods for chemists and physicists.

Covers how to extract fragment properties for use in data mining and machine learning workflows.

Published by World Scientific Publishing Company to support users of open-source quantum-chemical software.

Offers practical instruction for navigating problems encountered when using GAMESS for chemical calculations.

Product Specifications

Format
hardcover
Domain
Amazon UK
Release Date
20 February 2023
Listed Since
05 July 2022

Barcode

No barcode data available

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