about
"Conjugate channeling" effect in dislocation core diffusion: carbon transport in dislocated BCC ironMechanical properties of growing melanocytic nevi and the progression to melanomaAtomic resolution crystal structure of Sapp2p, a secreted aspartic protease from Candida parapsilosisStepwise catalytic mechanism via short-lived intermediate inferred from combined QM/MM MERP and PES calculations on retaining glycosyltransferase ppGalNAcT2Photochemistry of 6-amino-2-azido, 2-amino-6-azido and 2,6-diazido analogues of purine ribonucleosides in aqueous solutionsReal-space grids and the Octopus code as tools for the development of new simulation approaches for electronic systems.From Crystals to Disordered Crystals: A Hidden Order-Disorder Transition.Influence of Structural Heterogeneity on Diffusion of CH4 and CO2 in Silicon Carbide-Derived Nanoporous CarbonA big data approach to the ultra-fast prediction of DFT-calculated bond energiesSimplified continuum solvent model with a smooth cavity based on volumetric data.Energy landscapes for a machine learning application to series data.A practical perspective on the implementation of hyperdynamics for accelerated simulation.Reversibility and criticality in amorphous solids.Structural and configurational properties of nanoconfined monolayer ice from first principlesObservation of the amorphous zinc oxide recrystalline process by molecular dynamics simulation.Macroscopic self-reorientation of interacting two-dimensional crystals.Flexible 2D Crystals of Polycyclic Aromatics Stabilized by Static Distortion WavesScaling ansatz for the jamming transitionAge and structure of a model vapour-deposited glass.Thermophysical properties and oxygen transport in (Thx,Pu1-x)O2.Relationship between local structure and relaxation in out-of-equilibrium glassy systems.The role of oxygen and water on molybdenum nanoclusters for electro catalytic ammonia production.Energetics of atomic scale structure changes in graphene.Contact changes of sheared systems: Scaling, correlations, and mechanisms.A robust and reproducible procedure for cross-linking thermoset polymers using molecular simulation.A temperature-dependent coarse-grained model for the thermoresponsive polymer poly(N-isopropylacrylamide).Strain fluctuations and elastic moduli in disordered solids.N2 dissociation on W(110): An ab initio molecular dynamics study on the effect of phonons.Fundamental differences between glassy dynamics in two and three dimensions.Sliding friction of graphene/hexagonal -boron nitride heterojunctions: a route to robust superlubricity.Idealized vs. Realistic Microstructures: An Atomistic Simulation Case Study on γ/γ' Microstructures.Bond percolation in higher dimensions.Effects of coordination and pressure on sound attenuation, boson peak and elasticity in amorphous solids.The coupling of tautomerization to hydration in the transition state on the pyrimidine photohydration reaction path.Electrochemical ammonia production on molybdenum nitride nanoclusters.Transiting the molecular potential energy surface along low energy pathways: the TRREAT algorithm.A strategy to find minimal energy nanocluster structures.Turning intractable counting into sampling: Computing the configurational entropy of three-dimensional jammed packings.Selecting boron fullerenes by cage-doping mechanisms.A density functional theory study of the carbon-coating effects on lithium iron borate battery electrodes.
P2860
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P2860
description
2006 nî lūn-bûn
@nan
2006年の論文
@ja
2006年学术文章
@wuu
2006年学术文章
@zh
2006年学术文章
@zh-cn
2006年学术文章
@zh-hans
2006年学术文章
@zh-my
2006年学术文章
@zh-sg
2006年學術文章
@yue
2006年學術文章
@zh-hant
name
Structural relaxation made simple.
@en
Structural relaxation made simple.
@nl
type
label
Structural relaxation made simple.
@en
Structural relaxation made simple.
@nl
prefLabel
Structural relaxation made simple.
@en
Structural relaxation made simple.
@nl
P2860
P50
P1476
Structural relaxation made simple.
@en
P2093
Franz Gähler
Michael Moseler
P2860
P304
P356
10.1103/PHYSREVLETT.97.170201
P407
P577
2006-10-27T00:00:00Z