نتائج البحث

High-Performance Molecular Dynamics Simulations for Native Mass Spectrometry of Large Protein Complexes with the Fast Multipole Method

• Authors : Persson, LJ; Sahin, C; Landreh, M

Subjects: Medicin och hälsovetenskap

• Source: Analytical chemistry. 96(37):15023-15030

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Evaluation of δ-Phase ZrH1.4 to ZrH1.7 Thermal Neutron Scattering Laws Using Ab Initio Molecular Dynamics Simulations

• Authors : Mehta, Vedant; Rehn, Daniel; Olsson, Pär

Subjects: thermal scattering law; zirconium hydride; NJOY

• Source: Journal of Nuclear Engineering. 5(3):330-346

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relentless: Transparent, reproducible molecular dynamics simulations for optimization

• Authors : Sreenivasan, Adithya N; Petix, C. Levi; Sherman, Zachary M.

Subjects: Condensed Matter - Soft Condensed Matter; Physics - Computational Physics

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Mode-Dependent Phonon Relaxation in fcc Ni: Insights from Molecular Dynamics Simulations with Frozen-Trajectory Excitations

• Authors : Marciniak, Wojciech; Marciniak, Joanna; Castellanos-Reyes, José Ángel

Subjects: Condensed Matter - Materials Science; Condensed Matter - Statistical Mechanics; Physics - Computational Physics

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The molecular nature of superfluidity: Viscosity of helium from quantum stochastic molecular dynamics simulations over real trajectories

• Authors : Attard, Phil

Subjects: Condensed Matter - Quantum Gases; Condensed Matter - Statistical Mechanics; Physics - Chemical Physics

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Thermal conductivity and thermal diffusivity of molten salts: insights from molecular dynamics simulations and fundamental bounds

• Authors : Cockrell, C.; Withington, M.; Devereux, H. L.

Subjects: Condensed Matter - Soft Condensed Matter; Condensed Matter - Materials Science

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Structure and dynamics of the magnetite(001)/water interface from molecular dynamics simulations based on a neural network potential

• Authors : Romano, Salvatore; de Hijes, Pablo Montero; Meier, Matthias

Subjects: Physics - Computational Physics; Condensed Matter - Materials Science; Physics - Chemical Physics

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Insights into Protein Unfolding under pH, Temperature, and Shear using Molecular Dynamics Simulations

• Authors : Jia, Yinhao; Cocker, Clare; Sampath, Janani

Subjects: Physics - Biological Physics; Condensed Matter - Soft Condensed Matter; Quantitative Biology - Biomolecules

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Reactive molecular dynamics simulations of micrometeoroid bombardment for space weathering of asteroid (162173) Ryugu

• Authors : Shoji, Daigo

Subjects: Astrophysics - Earth and Planetary Astrophysics; Physics - Atomic and Molecular Clusters

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Free energy, rates, and mechanism of transmembrane dimerization in lipid bilayers from dynamically unbiased molecular dynamics simulations

• Authors : Jackel, Emil; Lazzeri, Gianmarco; Covino, Roberto

Subjects: Condensed Matter - Soft Condensed Matter; Physics - Chemical Physics; Quantitative Biology - Biomolecules

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