9780199765652 - neural networks in chemical reaction dynamics von raff, lionel; komanduri, ranga; hagan, martin (19 Ergebnisse)
Neural Networks in Chemical Reaction Dynamics
Raff, Lionel M.; Komanduri, Ranga; Hagan, Martin; Bukkapatnam, Satish T. S.
- Hardcover
Anbieter: GreatBookPrices, Columbia, MD, USAGreatBookPrices
Verkäufer/-in kontaktierenVerkäufer/-in mit 5 SternenZustand: Neu
EUR 107,35
EUR 2,31 VersandVersand innerhalb von USAAnzahl: Mehr als 20 verfügbar
Zustand: New.
Neural Networks in Chemical Reaction Dynamics
Raff, Lionel; Komanduri, Ranga; Hagan, Martin; Bukkapatnam, Satish
- Hardcover
Anbieter: Ria Christie Collections, Uxbridge, Vereinigtes KönigreichRia Christie Collections
Verkäufer/-in kontaktierenVerkäufer/-in mit 5 SternenZustand: Neu
EUR 104,79
EUR 14,09 VersandVersand von Vereinigtes Königreich nach USAAnzahl: Mehr als 20 verfügbar
Zustand: New. In.
Neural Networks in Chemical Reaction Dynamics
Raff, Lionel M.; Komanduri, Ranga; Hagan, Martin; Bukkapatnam, Satish T. S.
- Hardcover
Anbieter: GreatBookPrices, Columbia, MD, USAGreatBookPrices
Verkäufer/-in kontaktierenVerkäufer/-in mit 5 SternenZustand: Gebraucht - Wie neu
EUR 115,82
EUR 2,31 VersandVersand innerhalb von USAAnzahl: Mehr als 20 verfügbar
Zustand: As New. Unread book in perfect condition.
Neural Networks in Chemical Reaction Dynamics
Raff, Lionel M.; Komanduri, Ranga; Hagan, Martin; Bukkapatnam, Satish T. S.
- Hardcover
Anbieter: GreatBookPricesUK, Woodford Green, Vereinigtes KönigreichGreatBookPricesUK
Verkäufer/-in kontaktierenVerkäufer/-in mit 5 SternenZustand: Neu
EUR 104,78
EUR 17,64 VersandVersand von Vereinigtes Königreich nach USAAnzahl: Mehr als 20 verfügbar
Zustand: New.
Neural Networks in Chemical Reaction Dynamics
Raff, Lionel M.; Komanduri, Ranga; Hagan, Martin; Bukkapatnam, Satish
- Hardcover
Anbieter: Kennys Bookshop and Art Galleries Ltd., Galway, GY, IrlandKennys Bookshop and Art Galleries Ltd.
Verkäufer/-in kontaktierenVerkäufer/-in mit 5 SternenZustand: Neu
EUR 117,29
EUR 10,50 VersandVersand von Irland nach USAAnzahl: Mehr als 20 verfügbar
Zustand: New. This monograph presents recent advances in neural network (NN) approaches and applications to chemical reaction dynamics. Num Pages: 312 pages, 109 b&w, 4 color. BIC Classification: 1KBB; PHVQ; PNR; PNRP; PSB. Category: (G) General (US: Trade). Dimension: 166 x 241 x 26. Weight in Grams: 568. . 2012. Hardback. . .…. .
Neural Networks in Chemical Reaction Dynamics
Lionel Raff, Ranga Komanduri, Martin Hagan, Satish Bukkapatnam
- Hardcover
Anbieter: Rarewaves.com USA, London, LONDO, Vereinigtes KönigreichRarewaves.com USA
Verkäufer/-in kontaktierenVerkäufer/-in mit 5 SternenZustand: Neu
EUR 133,58
Versand nach gratisVersand von Vereinigtes Königreich nach USAAnzahl: Mehr als 20 verfügbar
Hardback. Zustand: New. 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) meth…ods 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.
Neural Networks in Chemical Reaction Dynamics
Raff, Lionel M.; Komanduri, Ranga; Hagan, Martin; Bukkapatnam, Satish T. S.
- Hardcover
Anbieter: GreatBookPricesUK, Woodford Green, Vereinigtes KönigreichGreatBookPricesUK
Verkäufer/-in kontaktierenVerkäufer/-in mit 5 SternenZustand: Gebraucht - Wie neu
EUR 117,12
EUR 17,64 VersandVersand von Vereinigtes Königreich nach USAAnzahl: Mehr als 20 verfügbar
Zustand: As New. Unread book in perfect condition.
Neural Networks in Chemical Reaction Dynamics
Raff, Lionel M.; Komanduri, Ranga; Hagan, Martin; Bukkapatnam, Satish
- Hardcover
Anbieter: Kennys Bookstore, Olney, MD, USAKennys Bookstore
Verkäufer/-in kontaktierenVerkäufer/-in mit 5 SternenZustand: Neu
EUR 148,52
EUR 9,18 VersandVersand innerhalb von USAAnzahl: Mehr als 20 verfügbar
Zustand: New. This monograph presents recent advances in neural network (NN) approaches and applications to chemical reaction dynamics. Num Pages: 312 pages, 109 b&w, 4 color. BIC Classification: 1KBB; PHVQ; PNR; PNRP; PSB. Category: (G) General (US: Trade). Dimension: 166 x 241 x 26. Weight in Grams: 568. . 2012. Hardback. . .…. . Books ship from the US and Ireland.
Neural Networks in Chemical Reaction Dynamics
Lionel Raff, Ranga Komanduri, Martin Hagan, Satish Bukkapatnam
- Hardcover
Anbieter: Rarewaves.com UK, London, Vereinigtes KönigreichRarewaves.com UK
Verkäufer/-in kontaktierenVerkäufer/-in mit 5 SternenZustand: Neu
EUR 125,46
EUR 76,43 VersandVersand von Vereinigtes Königreich nach USAAnzahl: Mehr als 20 verfügbar
Hardback. Zustand: New. 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) meth…ods 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.
- Hardcover
- Print-on-Demand
Anbieter: PBShop.store UK, Fairford, GLOS, Vereinigtes KönigreichPBShop.store UK
Verkäufer/-in kontaktierenVerkäufer/-in mit 5 SternenZustand: Neu
EUR 106,39
EUR 5,90 VersandVersand von Vereinigtes Königreich nach USAAnzahl: Mehr als 20 verfügbar
HRD. Zustand: New. New Book. Delivered from our UK warehouse in 4 to 14 business days. THIS BOOK IS PRINTED ON DEMAND. Established seller since 2000.
- Hardcover
- Print-on-Demand
Anbieter: PBShop.store US, Wood Dale, IL, USAPBShop.store US
Verkäufer/-in kontaktierenVerkäufer/-in mit 5 SternenZustand: Neu
EUR 110,54
Versand nach gratisVersand innerhalb von USAAnzahl: Mehr als 20 verfügbar
HRD. Zustand: New. New Book. Shipped from UK. THIS BOOK IS PRINTED ON DEMAND. Established seller since 2000.
- Hardcover
- Print-on-Demand
Anbieter: THE SAINT BOOKSTORE, Southport, Vereinigtes KönigreichTHE SAINT BOOKSTORE
Verkäufer/-in kontaktierenVerkäufer/-in mit 5 SternenZustand: Neu
EUR 121,70
EUR 19,72 VersandVersand von Vereinigtes Königreich nach USAAnzahl: Mehr als 20 verfügbar
Hardback. Zustand: New. This item is printed on demand. New copy - Usually dispatched within 5-9 working days.
- Hardcover
- Print-on-Demand
Anbieter: Brook Bookstore On Demand, Napoli, NA, ItalienBrook Bookstore On Demand
Verkäufer/-in kontaktierenVerkäufer/-in mit 5 SternenZustand: Neu
EUR 132,74
EUR 6,80 VersandVersand von Italien nach USAAnzahl: Mehr als 20 verfügbar
Zustand: new. Questo è un articolo print on demand.
- Hardcover
- Print-on-Demand
Anbieter: CitiRetail, Stevenage, Vereinigtes KönigreichCitiRetail
Verkäufer/-in kontaktierenVerkäufer/-in mit 5 SternenZustand: Neu
EUR 113,22
EUR 43,51 VersandVersand von Vereinigtes Königreich nach USAAnzahl: 1 verfügbar
Hardcover. Zustand: new. Hardcover. 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 NN…s; (ii) methods for sampling the configuration space of critical importance, such as trajectory and novelty sampling methods and gradient fitting methods; (iii) parametrizationof 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 obtaininganalytic 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 chemicalreaction 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 thehigher-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 tochemical 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. This monograph presents recent advances in neural network (NN) approaches and applications to chemical reaction dynamics. This item is printed on demand. Shipping may be from our UK warehouse or from our Australian or US warehouses, depending on stock availability.
- Hardcover
- Print-on-Demand
Anbieter: Books Puddle, New York, NY, USABooks Puddle
Verkäufer/-in kontaktierenVerkäufer/-in mit 4 SternenZustand: Neu
EUR 188,20
EUR 3,49 VersandVersand innerhalb von USAAnzahl: 4 verfügbar
Zustand: New. Print on Demand pp. 336 Index.
- Hardcover
- Print-on-Demand
Anbieter: Majestic Books, Hounslow, Vereinigtes KönigreichMajestic Books
Verkäufer/-in kontaktierenVerkäufer/-in mit 4 SternenZustand: Neu
EUR 198,27
EUR 7,64 VersandVersand von Vereinigtes Königreich nach USAAnzahl: 4 verfügbar
Zustand: New. Print on Demand pp. 336 113 Illus. (4 Col.).
- Hardcover
- Print-on-Demand
Anbieter: AHA-BUCH GmbH, Einbeck, DeutschlandAHA-BUCH GmbH
Verkäufer/-in kontaktierenVerkäufer/-in mit 5 SternenZustand: Neu
EUR 141,47
EUR 63,09 VersandVersand von Deutschland nach USAAnzahl: 2 verfügbar
Buch. Zustand: Neu. nach der Bestellung gedruckt Neuware - Printed after ordering - 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 us…ing 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; sc.
- Hardcover
- Print-on-Demand
Anbieter: Biblios, frankfurt am main, HESSE, DeutschlandBiblios
Verkäufer/-in kontaktierenVerkäufer/-in mit 4 SternenZustand: Neu
EUR 198,56
EUR 9,95 VersandVersand von Deutschland nach USAAnzahl: 4 verfügbar
Zustand: New. PRINT ON DEMAND pp. 336.
- Hardcover
- Print-on-Demand
Anbieter: preigu, Osnabrück, Deutschlandpreigu
Verkäufer/-in kontaktierenVerkäufer/-in mit 5 SternenZustand: Neu
EUR 188,75
EUR 70,00 VersandVersand von Deutschland nach USAAnzahl: 5 verfügbar
Buch. Zustand: Neu. Neural Networks in Chemical Reaction Dynamics | Lionel Raff (u. a.) | Buch | Gebunden | Englisch | 2012 | Oxford University Press | EAN 9780199765652 | Verantwortliche Person für die EU: Libri GmbH, Europaallee 1, 36244 Bad Hersfeld, gpsr[at]libri[dot]de | Anbieter: preigu Print on Demand.
