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1

Levitin, Valim. Interatomic Bonding in Solids. Weinheim, Germany: Wiley-VCH Verlag GmbH & Co. KGaA, 2013. http://dx.doi.org/10.1002/9783527671557.

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2

Interatomic forces in condensed matter. Oxford: Oxford University Press, 2003.

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3

Terakura, Kiyoyuki, and Hisazumi Akai, eds. Interatomic Potential and Structural Stability. Berlin, Heidelberg: Springer Berlin Heidelberg, 1993. http://dx.doi.org/10.1007/978-3-642-84968-8.

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4

Interatomic forces in condensed matter. Oxford: Oxford University Press, 2010.

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5

Studer, Christoph. Interative MIMO Decoding : Algorithms and VLSI Implementation Aspects. Konstanz: Hartung-Gorre, 2009.

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6

Cai, Jiazhen. An interative version of Hopcroft and Tarjan's planarity testing algorithm. New York: Courant Institute of Mathematical Sciences, New York University, 1987.

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7

Conley, John P. Interative planning procedures in non-convex and informationally decentralized economies. [Urbana, Ill.]: College of Commerce and Business Administration, University of Illinois at Urbana-Champaign, 1989.

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8

Cai, Jiazhen. An interative version of Hopcroft and Tarjan's planarity testing algorithm. New York: Courant Institute of Mathematical Sciences, New York University, 1987.

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9

Meyer, Madeleine. Computer Simulation in Materials Science: Interatomic Potentials, Simulation Techniques and Applications. Dordrecht: Springer Netherlands, 1991.

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10

Madeleine, Meyer, Pontikis Vassilis, and North Atlantic Treaty Organization. Scientific Affairs Division., eds. Computer simulation in materials science: Interatomic potentials, simulation techniques, and applications. Dordrecht: Kluwer Academic Publishers, 1991.

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11

Deuflhard, P. Fast secant methods for the interative solution of large nonsymmetric linear systems. [Moffett Field, Calif.]: Research Institute for Advanced Computer Science, NASA Ames Research Center, 1990.

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12

The Gaussian approximation potential: An interatomic potential derived from first principles quantum mechanics. Heidelberg: Springer, c2010., 2010.

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13

Terakura, Kiyoyuki. Interatomic Potential and Structural Stability: Proceedings of the 15th Taniguchi Symposium, Kashikojima, Japan, October 19-23, 1992. Berlin, Heidelberg: Springer Berlin Heidelberg, 1993.

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14

Cade, Steven C. An investigation of the interatomic bonding characteristics of a Ti - 51at.% Al alloy by X-ray diffraction. Monterey, Calif: Naval Postgraduate School, 1991.

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15

Global communications: Interative 1999. London: Hanson Cooke, 1999.

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16

Smith, Ralph E., and Patrick Birney. Interative Financial Accounting Lab. 2nd ed. Mcgraw-Hill College, 1998.

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17

Gehlen, P. Interatomic Potentials and Simulation of Lattice Defects. Springer, 2012.

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18

Interatomic Bonding In Solids Fundamentals Simulation Applications. Wiley-VCH Verlag GmbH, 2013.

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19

Levitin, Valim. Interatomic Bonding in Solids: Fundamentals, Simulation, and Applications. Wiley & Sons, Incorporated, John, 2013.

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20

Hobday, Steven. Artificial intelligence and simulations applied to interatomic potentials. 1998.

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21

Longman, Addison Wesley. Pass the Test (Interative CD-Rom for Beginning&Intermediate Algebra). 2nd ed. Addison Wesley Longman, 2000.

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22

Traub, J. F. Interative Methods for the Solution of Equations (AMS/Chelsea Publication). American Mathematical Society, 1997.

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23

Meyer, M. Computer Simulation in Materials Science: Interatomic Potentials, Simulation Techniques and Applications. Ingramcontent, 2012.

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24

Linear Algebra: Modules for Interative Learning Using Maple : Preliminary Version : Updated. Seren Books, 1999.

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25

Simulation of tip-sample interaction in the atomic force microscope. [Washington, D.C: National Aeronautics and Space Administration, 1994.

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26

Amitava, Banerjea, and United States. National Aeronautics and Space Administration., eds. Simulation of tip-sample interaction in the atomic force microscope. [Washington, D.C: National Aeronautics and Space Administration, 1994.

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27

Amitava, Banerjea, and United States. National Aeronautics and Space Administration., eds. Simulation of tip-sample interaction in the atomic force microscope. [Washington, D.C: National Aeronautics and Space Administration, 1994.

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28

Amitava, Banerjea, and United States. National Aeronautics and Space Administration., eds. Simulation of tip-sample interaction in the atomic force microscope. [Washington, D.C: National Aeronautics and Space Administration, 1994.

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29

Bartók-Pártay, Albert. The Gaussian Approximation Potential: An Interatomic Potential Derived from First Principles Quantum Mechanics. Springer, 2011.

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30

Bartók-Pártay, Albert. The Gaussian Approximation Potential: An Interatomic Potential Derived from First Principles Quantum Mechanics. Springer, 2012.

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31

Theoretical Interatomic Phenomena Models for the Design Optimization of Practical Engineering Processes and Materials (#d922ta). Merton Allen Assoc, 1989.

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32

1942-, Terakura K., and Akai H. 1947-, eds. Interatomic potential and structural stability: Proceedings of the 15th Taniguchi Symposium, Kashikojima, Japan, October 19-23, 1992. Berlin: Springer-Verlag, 1993.

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33

Schnorr, Kirsten. XUV Pump-Probe Experiments on Diatomic Molecules: Tracing the Dynamics of Electron Rearrangement and Interatomic Coulombic Decay. Springer, 2014.

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34

Interatomic Potential and Structural Stability: Proceedings of the 15th Taniguchi Symposium, Kashikojima, Japan, October 19-23, 1992. Springer, 2011.

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35

Parish, P. G. Thermodynamic and Interatomic Potential Data Generator for Equations of State of Solid Elements (Genera-S): Reports: Report. Atomic Weapons Establishment, 1995.

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36

Akai, Hisazumi, and Kiyoyuki Terakura. Interatomic Potential and Structural Stability: Proceedings of the 15th Taniguchi Symposium, Kashikojima, Japan, October 19–23, 1992. Springer, 2012.

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37

Janssen, Ted, Gervais Chapuis, and Marc de Boissieu. Physical properties. Oxford University Press, 2018. http://dx.doi.org/10.1093/oso/9780198824442.003.0005.

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Physical properties of aperiodic crystals present some theoretical challenges due to the lack of three-dimensional periodicity. For the description of the structure there is a periodic representation in higher-dimensional space. For physical properties, however, this scheme cannot be used because the mapping between interatomic forces and the high-dimensional representation is not straightforward. In this chapter methods are described to deal with these problems. First, the hydrodynamic theory of aperiodic crystals and then the phonons and phasons theory are developed and illustrated with some examples. The properties of electrons in aperiodic crystals are also presented. Finally, the experimental findings of phonon and phason modes for modulated and quasicrystals are presented. The chapter also discusses diffuse scattering, the Debye–Waller factor, and electrical conductivity.
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38

Fox, Raymond. The Use of Self. Oxford University Press, 2011. http://dx.doi.org/10.1093/oso/9780190616144.001.0001.

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This monograph presents recent advances in neural network (NN) approaches and applications to chemical reaction dynamics. Topics covered include: (i) the development of ab initio potential-energy surfaces (PES) for complex multichannel systems using modified novelty sampling and feedforward NNs; (ii) methods for sampling the configuration space of critical importance, such as trajectory and novelty sampling methods and gradient fitting methods; (iii) parametrization of interatomic potential functions using a genetic algorithm accelerated with a NN; (iv) parametrization of analytic interatomic potential functions using NNs; (v) self-starting methods for obtaining analytic PES from ab inito electronic structure calculations using direct dynamics; (vi) development of a novel method, namely, combined function derivative approximation (CFDA) for simultaneous fitting of a PES and its corresponding force fields using feedforward neural networks; (vii) development of generalized PES using many-body expansions, NNs, and moiety energy approximations; (viii) NN methods for data analysis, reaction probabilities, and statistical error reduction in chemical reaction dynamics; (ix) accurate prediction of higher-level electronic structure energies (e.g. MP4 or higher) for large databases using NNs, lower-level (Hartree-Fock) energies, and small subsets of the higher-energy database; and finally (x) illustrative examples of NN applications to chemical reaction dynamics of increasing complexity starting from simple near equilibrium structures (vibrational state studies) to more complex non-adiabatic reactions. The monograph is prepared by an interdisciplinary group of researchers working as a team for nearly two decades at Oklahoma State University, Stillwater, OK with expertise in gas phase reaction dynamics; neural networks; various aspects of MD and Monte Carlo (MC) simulations of nanometric cutting, tribology, and material properties at nanoscale; scaling laws from atomistic to continuum; and neural networks applications to chemical reaction dynamics. It is anticipated that this emerging field of NN in chemical reaction dynamics will play an increasingly important role in MD, MC, and quantum mechanical studies in the years to come.
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39

Raff, Lionel, Ranga Komanduri, Martin Hagan, and Satish Bukkapatnam. Neural Networks in Chemical Reaction Dynamics. Oxford University Press, 2012. http://dx.doi.org/10.1093/oso/9780199765652.001.0001.

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This monograph presents recent advances in neural network (NN) approaches and applications to chemical reaction dynamics. Topics covered include: (i) the development of ab initio potential-energy surfaces (PES) for complex multichannel systems using modified novelty sampling and feedforward NNs; (ii) methods for sampling the configuration space of critical importance, such as trajectory and novelty sampling methods and gradient fitting methods; (iii) parametrization of interatomic potential functions using a genetic algorithm accelerated with a NN; (iv) parametrization of analytic interatomic potential functions using NNs; (v) self-starting methods for obtaining analytic PES from ab inito electronic structure calculations using direct dynamics; (vi) development of a novel method, namely, combined function derivative approximation (CFDA) for simultaneous fitting of a PES and its corresponding force fields using feedforward neural networks; (vii) development of generalized PES using many-body expansions, NNs, and moiety energy approximations; (viii) NN methods for data analysis, reaction probabilities, and statistical error reduction in chemical reaction dynamics; (ix) accurate prediction of higher-level electronic structure energies (e.g. MP4 or higher) for large databases using NNs, lower-level (Hartree-Fock) energies, and small subsets of the higher-energy database; and finally (x) illustrative examples of NN applications to chemical reaction dynamics of increasing complexity starting from simple near equilibrium structures (vibrational state studies) to more complex non-adiabatic reactions. The monograph is prepared by an interdisciplinary group of researchers working as a team for nearly two decades at Oklahoma State University, Stillwater, OK with expertise in gas phase reaction dynamics; neural networks; various aspects of MD and Monte Carlo (MC) simulations of nanometric cutting, tribology, and material properties at nanoscale; scaling laws from atomistic to continuum; and neural networks applications to chemical reaction dynamics. It is anticipated that this emerging field of NN in chemical reaction dynamics will play an increasingly important role in MD, MC, and quantum mechanical studies in the years to come.
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40

(Editor), K. Terakura, and H. Akai (Editor), eds. Interatomic Potential & Structural Stability: Proceedings of the 15th Taniguchi Symposium Kashikojima, Japan, October 19-23, 1992 (Springer Series in Solid-State Sciences). Springer, 1993.

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41

Terakura, K., and H. Akai. Interatomic Potential and Structural Stability: Proceedings of the 15th Taniguchi Symposium, Kashikojima, Japan, October 18-23, 1992 (Springer Series in Solid-State Sciences). Springer, 1993.

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42

Khan, Ihtiram Raza. Introduction to Interative Computer Graphics ; According to the Latest Syllabus of the Examining Body and Based on the Latest Trends of Examination Papers. Cyber-Tech Publications, 2003.

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43

Eriksson, Olle, Anders Bergman, Lars Bergqvist, and Johan Hellsvik. Atomistic Spin Dynamics. Oxford University Press, 2017. http://dx.doi.org/10.1093/oso/9780198788669.001.0001.

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The purpose of this book is to provide a theoretical foundation and an understanding of atomistic spin-dynamics, and to give examples of where the atomistic Landau-Lifshitz-Gilbert equation can and should be used. The contents involve a description of density functional theory both from a fundamental viewpoint as well as a practical one, with several examples of how this theory can be used for the evaluation of ground state properties like spin and orbital moments, magnetic form-factors, magnetic anisotropy, Heisenberg exchange parameters, and the Gilbert damping parameter. This book also outlines how interatomic exchange interactions are relevant for the effective field used in the temporal evolution of atomistic spins. The equation of motion for atomistic spin-dynamics is derived starting from the quantum mechanical equation of motion of the spin-operator. It is shown that this lead to the atomistic Landau-Lifshitz-Gilbert equation, provided a Born-Oppenheimer-like approximation is made, where the motion of atomic spins is considered slower than that of the electrons. It is also described how finite temperature effects may enter the theory of atomistic spin-dynamics, via Langevin dynamics. Details of the practical implementation of the resulting stochastic differential equation are provided, and several examples illustrating the accuracy and importance of this method are given. Examples are given of how atomistic spin-dynamics reproduce experimental data of magnon dispersion of bulk and thin-film systems, the damping parameter, the formation of skyrmionic states, all-thermal switching motion, and ultrafast magnetization measurements.
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