標題: Titlebook: Computer Simulations in Condensed Matter: From Materials to Chemical Biology. Volume 1; Mauro Ferrario,Giovanni Ciccotti,Kurt Binder Book [打印本頁] 作者: Indigent 時間: 2025-3-21 19:55
書目名稱Computer Simulations in Condensed Matter: From Materials to Chemical Biology. Volume 1影響因子(影響力)
書目名稱Computer Simulations in Condensed Matter: From Materials to Chemical Biology. Volume 1影響因子(影響力)學科排名
書目名稱Computer Simulations in Condensed Matter: From Materials to Chemical Biology. Volume 1網(wǎng)絡公開度
書目名稱Computer Simulations in Condensed Matter: From Materials to Chemical Biology. Volume 1網(wǎng)絡公開度學科排名
書目名稱Computer Simulations in Condensed Matter: From Materials to Chemical Biology. Volume 1被引頻次
書目名稱Computer Simulations in Condensed Matter: From Materials to Chemical Biology. Volume 1被引頻次學科排名
書目名稱Computer Simulations in Condensed Matter: From Materials to Chemical Biology. Volume 1年度引用
書目名稱Computer Simulations in Condensed Matter: From Materials to Chemical Biology. Volume 1年度引用學科排名
書目名稱Computer Simulations in Condensed Matter: From Materials to Chemical Biology. Volume 1讀者反饋
書目名稱Computer Simulations in Condensed Matter: From Materials to Chemical Biology. Volume 1讀者反饋學科排名
作者: 留戀 時間: 2025-3-21 23:14 作者: Coordinate 時間: 2025-3-22 02:59
Generic Sampling Strategies for Monte Carlo Simulation of Phase Behaviour,ically (through the prevailing external conditions) and microscopically (through the interactions between the elementary constituents). In this article we focus on . computational strategies needed to address the problems of phase behavior, or more specifically the task of mapping equilibrium phase 作者: 外貌 時間: 2025-3-22 05:05
Simulation Techniques for Calculating Free Energies,h provided some of the first evidence in support of a freezing transition in hardsphere systems, to contemporary research on complex systems, including polymers, proteins, or liquid crystals, to name a few, molecular simulations are increasingly providing a standard against which to measure the vali作者: 向外才掩飾 時間: 2025-3-22 09:53 作者: 食草 時間: 2025-3-22 15:46
Equilibrium Statistical Mechanics, Non-Hamiltonian Molecular Dynamics, and Novel Applications from imitations we still face in the application of molecular dynamics (MD). Levinthal reasoned that if we were to assume that every residue in a polypeptide has a least two stable conformations, then a small 100 residue polypeptide would have 2. possible states. If we were to study such a protein using 作者: 食草 時間: 2025-3-22 17:25 作者: 斜坡 時間: 2025-3-23 00:40 作者: cloture 時間: 2025-3-23 01:42 作者: Compass 時間: 2025-3-23 05:41 作者: ALERT 時間: 2025-3-23 09:46
Sampling Kinetic Protein Folding Pathways using All-Atom Models,e background of two state folding using energy landscapes I introduce common protein models and computational tools to study folding thermodynamics and kinetics. Free energy landscapes are able to capture the thermodynamics of two-state protein folding, and several methods for efficient sampling of 作者: Defense 時間: 2025-3-23 13:54 作者: GOUGE 時間: 2025-3-23 19:22
Transition Path Theory,lived states. For over 70 years, transition state theory (TST) has provided the main theoretical framework for the description of these events [17,33,34]. Yet, while TST and evolutions thereof based on the reactive flux formalism [1, 5] (see also [30,31]) give an accurate estimate of the transition 作者: convert 時間: 2025-3-23 22:49
Multiscale Modelling in Molecular Dynamics: Biomolecular Conformations as Metastable States,oachis based on a hierarchical concept of metastability: metastable statesare understood as subsets of state or configuration space from which the dynamicsexits only very rarely; subsets with the smallest exit probabilities areof most interest, their further decomposition then may reveal subsets fro作者: 嫻熟 時間: 2025-3-24 05:25 作者: Hippocampus 時間: 2025-3-24 07:24
Linearized Path Integral Methods for Quantum Time Correlation Functions,l expressions in the difference between paths representing the forward and backward propagators. Our focus here will be on problems that can be partitioned into two subsystems: One that is best described by a few discrete quantum states such as the high frequency vibrations or electronic states of m作者: 你敢命令 時間: 2025-3-24 11:41 作者: ureter 時間: 2025-3-24 14:56 作者: ANNUL 時間: 2025-3-24 19:08
Large Scale Condensed Matter Calculations using the Gaussian and Augmented Plane Waves Method, of the KS method makes it also the favorite framework for new developments to improve both, accuracy and efficiency. Better accuracy in this context can be achieved along two lines. On one hand the numerical limit of a given model should be reached and on the other hand more accurate models should 作者: 欺騙手段 時間: 2025-3-25 03:08
Transition Path Theory, trajectories may again be rather uninformative about the mechanism of the reaction. This may sound paradoxical at first: what more than actual reactive trajectories could one need to understand a reaction? The problem, however, is that the reactive trajectories by themselves give only a very indire作者: FILLY 時間: 2025-3-25 04:55
Ethics, Applied Ethics, and Law of the KS method makes it also the favorite framework for new developments to improve both, accuracy and efficiency. Better accuracy in this context can be achieved along two lines. On one hand the numerical limit of a given model should be reached and on the other hand more accurate models should 作者: 法律 時間: 2025-3-25 07:49 作者: 最低點 時間: 2025-3-25 15:14 作者: AROMA 時間: 2025-3-25 19:15 作者: Lacunar-Stroke 時間: 2025-3-25 22:24
978-3-662-50062-0Springer-Verlag Berlin Heidelberg 2006作者: 針葉樹 時間: 2025-3-26 01:07
Tracing the Roots of the Conflictds and solids to complex multicomponent materials and even problems of chemical biology, are well known and understood: one just deals with the Schr?dinger equation for the quantum many-body problem of the nuclei and electrons interacting with Coulomb potentials (for simplicity, we disregard, here t作者: 松緊帶 時間: 2025-3-26 06:55 作者: Filibuster 時間: 2025-3-26 08:37
Tracing the Roots of the Conflictically (through the prevailing external conditions) and microscopically (through the interactions between the elementary constituents). In this article we focus on . computational strategies needed to address the problems of phase behavior, or more specifically the task of mapping equilibrium phase 作者: ADORE 時間: 2025-3-26 15:48
https://doi.org/10.1007/978-0-387-75877-0h provided some of the first evidence in support of a freezing transition in hardsphere systems, to contemporary research on complex systems, including polymers, proteins, or liquid crystals, to name a few, molecular simulations are increasingly providing a standard against which to measure the vali作者: anaphylaxis 時間: 2025-3-26 19:09
https://doi.org/10.1057/978-1-137-55734-6ave been proposed, but they are all based on the original Metropolis prescription that only states belonging to the Markov Chain should be sampled. In particular, if trial moves to a potential target state are rejected, that state is not included in the sampling. I will argue that the efficiency of 作者: 誘使 時間: 2025-3-27 00:29
https://doi.org/10.1057/978-1-137-55734-6imitations we still face in the application of molecular dynamics (MD). Levinthal reasoned that if we were to assume that every residue in a polypeptide has a least two stable conformations, then a small 100 residue polypeptide would have 2. possible states. If we were to study such a protein using 作者: 先兆 時間: 2025-3-27 02:26 作者: Lice692 時間: 2025-3-27 07:49
The Morisprudence Model for Applied Ethicsat each time-step of the dynamics to determine the forces on the nuclei. This allows for the simulation of materials in a broad range of situations, including during chemical reactions, while chemical bonds are broken or formed. The last few years, use of ab initio MD has spread very rapidly to many作者: licence 時間: 2025-3-27 12:31 作者: 母豬 時間: 2025-3-27 15:19 作者: 無脊椎 時間: 2025-3-27 20:04
The Conformal Structure of Space-Timese background of two state folding using energy landscapes I introduce common protein models and computational tools to study folding thermodynamics and kinetics. Free energy landscapes are able to capture the thermodynamics of two-state protein folding, and several methods for efficient sampling of 作者: 不斷的變動 時間: 2025-3-28 01:10
The Roots of the Western Legal Spiritonal of the complete trajectory. This functional can be the usual classical action, and is approximated by discrete and sequential sets of coordinates. In contrast to initial value formulation, the pre-specified end points of the trajectories are useful for computing rare trajectories. Each of the b作者: GLUT 時間: 2025-3-28 04:24 作者: promote 時間: 2025-3-28 09:07
https://doi.org/10.1007/978-981-10-4530-1oachis based on a hierarchical concept of metastability: metastable statesare understood as subsets of state or configuration space from which the dynamicsexits only very rarely; subsets with the smallest exit probabilities areof most interest, their further decomposition then may reveal subsets fro作者: 推延 時間: 2025-3-28 12:12 作者: 鞭子 時間: 2025-3-28 14:53 作者: 懶惰人民 時間: 2025-3-28 21:50 作者: DEI 時間: 2025-3-29 00:53 作者: 粘 時間: 2025-3-29 06:38 作者: 貪婪性 時間: 2025-3-29 08:00
Generic Sampling Strategies for Monte Carlo Simulation of Phase Behaviour,ically (through the prevailing external conditions) and microscopically (through the interactions between the elementary constituents). In this article we focus on . computational strategies needed to address the problems of phase behavior, or more specifically the task of mapping equilibrium phase boundaries.作者: habile 時間: 2025-3-29 12:59 作者: amyloid 時間: 2025-3-29 18:24
Computer Simulations in Condensed Matter: From Materials to Chemical Biology. Volume 1978-3-540-35273-0Series ISSN 0075-8450 Series E-ISSN 1616-6361 作者: Organonitrile 時間: 2025-3-29 22:12
Tracing the Roots of the Conflictically (through the prevailing external conditions) and microscopically (through the interactions between the elementary constituents). In this article we focus on . computational strategies needed to address the problems of phase behavior, or more specifically the task of mapping equilibrium phase boundaries.作者: 植物學 時間: 2025-3-30 01:45
The Constitutionalism: , (勢) and , (理)e approximation and it is widely used in simulations of both static and dynamic properties of many-body systems. Often, however, quantum effects cannot be neglected and one is faced with the task of devising methods to simulate the behavior of the quantum system.作者: Dislocation 時間: 2025-3-30 04:25
Springer Tracts in Natural PhilosophyTransition path sampling, based on a statistical mechanics in trajectory space, is a set of computational methods for the simulation of rare events in complex systems. In this chapter we give an overview of these techniques and describe their statistical mechanical basis as well as their application.作者: macrophage 時間: 2025-3-30 09:18 作者: preservative 時間: 2025-3-30 15:07 作者: 元音 時間: 2025-3-30 20:03 作者: pellagra 時間: 2025-3-30 22:13 作者: 隼鷹 時間: 2025-3-31 03:20
https://doi.org/10.1057/978-1-137-55734-6de has a least two stable conformations, then a small 100 residue polypeptide would have 2. possible states. If we were to study such a protein using traditional, state of the art, MD techniques, the native state would only be deduced after a little more than a billion years.作者: VEST 時間: 2025-3-31 08:02 作者: anchor 時間: 2025-3-31 09:30
Equilibrium Statistical Mechanics, Non-Hamiltonian Molecular Dynamics, and Novel Applications from de has a least two stable conformations, then a small 100 residue polypeptide would have 2. possible states. If we were to study such a protein using traditional, state of the art, MD techniques, the native state would only be deduced after a little more than a billion years.作者: 遷移 時間: 2025-3-31 14:26
0075-8450 is a collection of state-of-the-art surveys on numerical experiments carried out for a great number of systems, ranging from materials sciences to chemical biology..978-3-662-50062-0978-3-540-35273-0Series ISSN 0075-8450 Series E-ISSN 1616-6361 作者: Fluctuate 時間: 2025-3-31 19:39 作者: 詳細目錄 時間: 2025-4-1 01:08 作者: 填料 時間: 2025-4-1 04:57 作者: 滔滔不絕地說 時間: 2025-4-1 07:39 作者: 大火 時間: 2025-4-1 11:05
The Roots of the Western Legal Spiritoundary-value trajectories ends at desired products. A difficulty in applying boundary value formulation is the high computational cost of optimizing the whole trajectory in contrast to the calculation of one temporal frame at a time in initial value formulation.作者: crumble 時間: 2025-4-1 15:48 作者: Antagonist 時間: 2025-4-1 22:09
Introduction: Condensed Matter Theory by Computer Simulation,hroughout, the need for relativistic corrections in electronic structure calculations of matter containing heavy atoms). Statistical mechanics then supplies the framework to extend this quantum many-body theory to provide a statistical description in terms of averages taken at nonzero temperature.作者: 遺忘 時間: 2025-4-1 23:22 作者: surrogate 時間: 2025-4-2 06:35 作者: Intact 時間: 2025-4-2 08:55
Linearized Path Integral Methods for Quantum Time Correlation Functions,olecules, and the other subsystem, “the bath”, composed of the remaining degrees of freedom that will be described by a continuous representation. The general theory will first be developed and applied to model condensed phase problems. Approximations to the theory will be then made enabling applications to large scale realistic systems.作者: 保全 時間: 2025-4-2 14:11
