標(biāo)題: Titlebook: Bridging the Time Scales; Molecular Simulation Peter Nielaba,Michel Mareschal,Giovanni Ciccotti Book 2002 Springer-Verlag Berlin Heidelberg [打印本頁] 作者: Reticent 時(shí)間: 2025-3-21 17:00
書目名稱Bridging the Time Scales影響因子(影響力)
書目名稱Bridging the Time Scales影響因子(影響力)學(xué)科排名
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書目名稱Bridging the Time Scales網(wǎng)絡(luò)公開度學(xué)科排名
書目名稱Bridging the Time Scales被引頻次
書目名稱Bridging the Time Scales被引頻次學(xué)科排名
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書目名稱Bridging the Time Scales年度引用學(xué)科排名
書目名稱Bridging the Time Scales讀者反饋
書目名稱Bridging the Time Scales讀者反饋學(xué)科排名
作者: 思考而得 時(shí)間: 2025-3-21 21:43
Variable-Connectivity Monte Carlo Algorithms for the Atomistic Simulation of Long-Chain Polymer Systties in long-chain synthetic polymer melts (polyethylene, polypropylene, polyisoprene); melt elasticity and birefringence under conditions of steadystate flow; sorption equilibria of alkanes in polyethylene melts; and composition profiles at solid/polymer interfaces strengthened with grafted polymer作者: condescend 時(shí)間: 2025-3-22 01:05 作者: 脫落 時(shí)間: 2025-3-22 05:04
Go-with-the-Flow Lattice Boltzmann Methods for Tracer Dynamicses on a time-scale determined by molecular diffusion. This behaviour is not what is expected for a random medium. Our results thus illustrate that a periodic system is too crude an approximation, as far as dispersion in random media is concerned. Nonetheless, our values for the dispersion coefficien作者: CAGE 時(shí)間: 2025-3-22 10:53 作者: 辭職 時(shí)間: 2025-3-22 13:02
Jürgen Janovsky,Bettina Wikarski as the time and/or length scales grow. This will be discussed further in Sect. 2.3. Bridging these disparate scales is possible with multiscale modeling [.,.,.] in which the various levels of treatment are coupled and fed back into one another.作者: 反應(yīng) 時(shí)間: 2025-3-22 18:29
https://doi.org/10.1007/978-3-8349-9115-7ties in long-chain synthetic polymer melts (polyethylene, polypropylene, polyisoprene); melt elasticity and birefringence under conditions of steadystate flow; sorption equilibria of alkanes in polyethylene melts; and composition profiles at solid/polymer interfaces strengthened with grafted polymer作者: dermatomyositis 時(shí)間: 2025-3-23 00:14 作者: 廚房里面 時(shí)間: 2025-3-23 04:34 作者: Nonconformist 時(shí)間: 2025-3-23 07:24
Rudolf Ergenzinger,Jan S. Krulis-Randa how it is possible to avoid effects that merely arise due to poor models. Moreover, it will be outlined how it is possible to gain insight into tribological processes that take place on macroscopic time scales with the help of atomistic computer simulations, which are typically constrained to the n作者: 悅耳 時(shí)間: 2025-3-23 09:45
Peter Nielaba,Michel Mareschal,Giovanni CiccottiBridges the gap between monographical and research literature.Includes supplementary material: 作者: 翻布尋找 時(shí)間: 2025-3-23 16:24
Lecture Notes in Physicshttp://image.papertrans.cn/b/image/190768.jpg作者: 煩人 時(shí)間: 2025-3-23 21:58
Der Turnaround bei der Weberei Tuch GmbH find that rates of sidechain relaxation exhibit a distribution over the protein structure, with the fastest relaxing sidechains being involved in kinetically important positions. Traversal of the major folding transition state corresponds to the freezing of a small number of residues, while the res作者: 向下 時(shí)間: 2025-3-24 00:18 作者: prolate 時(shí)間: 2025-3-24 06:26
https://doi.org/10.1007/978-3-8349-9115-7 Monte Carlo schemes employing moves which modify the connectivity of atoms along the chains. In this chapter, the geometric “bridging” construction underlying these moves is explained and the statistical mechanical underpinnings of Monte Carlo algorithms employing these moves to sample various, app作者: affluent 時(shí)間: 2025-3-24 08:05
Herausforderungen an das Managementystems. We show that the concept of reaction coordinate can be formulated in a systematic way using the concept of commitor. This quantity can be usefully described by associating certain system of resistors with the space of conformations of the protein, in which case the flow of current and the di作者: 通情達(dá)理 時(shí)間: 2025-3-24 13:26
Product Placement im digitalen Zeitalterorder to faithfully simulate specific materials and eventually predict material properties. In the present contribution this is explained in some detail for different coarse grained bead spring models and different micro-meso mapping schemes for bulk properties. In the case of polycarbonate near sur作者: circuit 時(shí)間: 2025-3-24 16:54
Strategies for Virtual Organizationsto the concept of effective interactions and provides a “coarse-grained” picture which can be simulated much more efficiently than a full microscopic model. This approach bridges length scales in complex fluids. In this chapter, we justify this procedure on a Statistical Mechanics level and apply it作者: CROW 時(shí)間: 2025-3-24 22:00
https://doi.org/10.1007/3-540-31772-4 15 decades upon approaching the transition temperature ... Brute-force molecular dynamics simulations, as presented here for molten SiO. and coarse-grained bead-spring models of polymer chains, can yield very useful insight about the first few decades of this slowing down. Hence this allows to acce作者: 價(jià)值在貶值 時(shí)間: 2025-3-25 03:00 作者: 新義 時(shí)間: 2025-3-25 05:57
Herausforderungen an das Managementle simulations. As an example of upward coupling, we examine how the simple problem of the dynamics of tracers can be studied within the LBE framework. We describe how, by utilizing the kinetic view of the model, very efficient techniques can be developed to study this problem. For the specific exam作者: URN 時(shí)間: 2025-3-25 10:52 作者: 轉(zhuǎn)換 時(shí)間: 2025-3-25 13:55 作者: 一個(gè)姐姐 時(shí)間: 2025-3-25 19:52 作者: flammable 時(shí)間: 2025-3-25 23:24 作者: 可以任性 時(shí)間: 2025-3-26 01:53 作者: murmur 時(shí)間: 2025-3-26 05:27
Die Macht und Kraft der Gedankened description of chemical reactivity. We address the problem of times scales focusing on the determination of the reaction path and mechanism of chemical reactions using advanced sampling techniques. Further in the discussion about the calculation of thermochemical constants both, time and length s作者: craven 時(shí)間: 2025-3-26 11:07
Success Factors for MBA Programson of matter based on a mixture of quantum and classical dynamics. Many physically interesting systems may be partitioned into subsystems where certain degrees of freedom must necessarily be treated quantum mechanically, while others behave classically to a high degree of accuracy. Examples of syste作者: 使迷惑 時(shí)間: 2025-3-26 15:37
Success Factors for MBA Programsl methods for computing total electronic energies. We will review methods we have developed to perform QMC for the electrons coupled to another MC simulation for the ions. In this method, one estimates the Born-Oppenheimer energy .(.) where . represents the ionic degrees of freedom. That estimate of作者: Ledger 時(shí)間: 2025-3-26 20:10
Bridging the Time Scale Gap with Transition Path Sampling Here we briefly review the basic principles of transition path sampling, illustrate its application using autoionization in liquid water, and emphasize the capabilities and limitations of the methodology.作者: 傻 時(shí)間: 2025-3-26 23:08 作者: Mangle 時(shí)間: 2025-3-27 04:45
Wolfgang Kappeller,Regina Mittenhuber Here we briefly review the basic principles of transition path sampling, illustrate its application using autoionization in liquid water, and emphasize the capabilities and limitations of the methodology.作者: Trigger-Point 時(shí)間: 2025-3-27 05:57
https://doi.org/10.1007/3-540-45837-9Monte Carlo Simulations; complex fluids; computational materials science; mechanics; molecular dynamics; 作者: Comedienne 時(shí)間: 2025-3-27 09:38
978-3-642-07929-0Springer-Verlag Berlin Heidelberg 2002作者: 大喘氣 時(shí)間: 2025-3-27 16:16
Sidechain Dynamics and Protein Folding find that rates of sidechain relaxation exhibit a distribution over the protein structure, with the fastest relaxing sidechains being involved in kinetically important positions. Traversal of the major folding transition state corresponds to the freezing of a small number of residues, while the res作者: fiscal 時(shí)間: 2025-3-27 21:13
A Coarse Grain Model for Lipid Monolayer and Bilayer Studies to real-time macroscopic phenomena. Simulation methods in which each atom is explicitly represented are well established but have difficulty addressing many cooperative effects of experimental and theoretical interest. There is simply too large a gap between the time and spatial scales that govern 作者: 刺耳 時(shí)間: 2025-3-27 22:32
Variable-Connectivity Monte Carlo Algorithms for the Atomistic Simulation of Long-Chain Polymer Syst Monte Carlo schemes employing moves which modify the connectivity of atoms along the chains. In this chapter, the geometric “bridging” construction underlying these moves is explained and the statistical mechanical underpinnings of Monte Carlo algorithms employing these moves to sample various, app作者: arrogant 時(shí)間: 2025-3-28 05:44 作者: 任命 時(shí)間: 2025-3-28 09:16
Multiscale Computer Simulations for Polymeric Materials in Bulk and Near Surfacesorder to faithfully simulate specific materials and eventually predict material properties. In the present contribution this is explained in some detail for different coarse grained bead spring models and different micro-meso mapping schemes for bulk properties. In the case of polycarbonate near sur作者: 幾何學(xué)家 時(shí)間: 2025-3-28 13:08 作者: 喃喃訴苦 時(shí)間: 2025-3-28 15:38
Simulation of Models for the Glass Transition: Is There Progress? 15 decades upon approaching the transition temperature ... Brute-force molecular dynamics simulations, as presented here for molten SiO. and coarse-grained bead-spring models of polymer chains, can yield very useful insight about the first few decades of this slowing down. Hence this allows to acce作者: arsenal 時(shí)間: 2025-3-28 21:03
Monte Carlo Methods for Bridging the Timescale Gape transitions. A brief survey is provided of a number of new and existing techniques that attempt to circumvent these problems. Attention is then focused on two novel methods with which we have particular experience: “Wang-Landau sampling” and Phase Switch Monte Carlo. Detailed case studies are made作者: 小步舞 時(shí)間: 2025-3-29 00:27
Go-with-the-Flow Lattice Boltzmann Methods for Tracer Dynamicsle simulations. As an example of upward coupling, we examine how the simple problem of the dynamics of tracers can be studied within the LBE framework. We describe how, by utilizing the kinetic view of the model, very efficient techniques can be developed to study this problem. For the specific exam作者: jovial 時(shí)間: 2025-3-29 04:08
Atomistic Simulations of Solid Frictione in an atomic force microscope up to the extremely macroscopic scales of tectonic motion. Despite our familiarity with the effects of friction, fundamental questions remain unanswered. The atomistic origins of well-established phenomenological friction laws are controversial. Many explanations, see作者: 形容詞詞尾 時(shí)間: 2025-3-29 07:23
Bridging the Time Scale Gap with Transition Path Sampling Here we briefly review the basic principles of transition path sampling, illustrate its application using autoionization in liquid water, and emphasize the capabilities and limitations of the methodology.作者: FLAG 時(shí)間: 2025-3-29 11:59 作者: machination 時(shí)間: 2025-3-29 17:31 作者: FIR 時(shí)間: 2025-3-29 19:45 作者: Scleroderma 時(shí)間: 2025-3-30 02:52 作者: tendinitis 時(shí)間: 2025-3-30 06:58
A Statistical Mechanical Theory of Quantum Dynamics in Classical Environmentson of matter based on a mixture of quantum and classical dynamics. Many physically interesting systems may be partitioned into subsystems where certain degrees of freedom must necessarily be treated quantum mechanically, while others behave classically to a high degree of accuracy. Examples of syste作者: nominal 時(shí)間: 2025-3-30 09:28 作者: 狂熱文化 時(shí)間: 2025-3-30 16:00
Der Turnaround bei der Weberei Tuch GmbHucleated ensemble is energetically very close to equilibrium; slow relaxation is still observed. At lower temperatures, sidechain relaxation becomes a significant and very noticeable part of the folding reaction.作者: 毗鄰 時(shí)間: 2025-3-30 19:45
https://doi.org/10.1007/978-3-8349-6935-4l simulations, the Coulomb and dipole-dipole interactions are taken into account in such a way that the specific physical properties which derive from their slow decrease and infinite range stay preserved.作者: 侵害 時(shí)間: 2025-3-30 20:48 作者: 觀點(diǎn) 時(shí)間: 2025-3-31 03:26 作者: 有特色 時(shí)間: 2025-3-31 08:00 作者: Substance-Abuse 時(shí)間: 2025-3-31 11:35
Numerical Simulations of Molecular Systems with Long Range Interactionsl simulations, the Coulomb and dipole-dipole interactions are taken into account in such a way that the specific physical properties which derive from their slow decrease and infinite range stay preserved.作者: MEN 時(shí)間: 2025-3-31 15:13
A Statistical Mechanical Theory of Quantum Dynamics in Classical Environments the two isolated subsystems but also describes their interaction. [.,.,.] The most widely used approaches are based on surface-hopping schemes where the coupling between the two subsystems induces quantum transitions. [.,.,.,.]作者: 侵略者 時(shí)間: 2025-3-31 18:42 作者: 沒血色 時(shí)間: 2025-4-1 00:58
Book 2002dynamics or Monte Carlo simulation techniques. As progress is coming more through refined simulation methods than from increased computer power, this volume is intended as both an introduction and a review of all relevant modern methods that will shape molecular simulation in the forthcoming decade.作者: 從容 時(shí)間: 2025-4-1 03:15
New Developments in Plane-Wave Based , Calculationsbe localized in a single small region of space embedded within a large chemically inert bath, is discussed (.. 5351 (2002)) that significantly enhances the ability of plane-wave based techniques to study reactions in biological systems.
