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Synonyms were used for: molecular dynamics
Search without synonyms: keywords:("molecular dynamics")
Used synonyms:
- md simulation
- molekularbewegung
- molekulardynamik
- molekulardynamikmethode
- molekulardynamische berechnung
- molekulardynamische computersimulation
- molekulardynamische simulation
- molekulare dynamik
- molekulbewegung
- molekuldynamik
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Adsorption of tetracyclines onto polyethylene microplastics: A combined study of experiment and molecular dynamics simulation
Elsevier | 2020|Keywords: Molecular dynamics (MD) simulation -
Probing the toxic effect of chlorpyrifos as an environmental pollutant on the structure and biological activity of lysozyme under physiological conditions
Elsevier | 2024|Keywords: MD simulation -
Spall and recompression processes with double shock loading of polycrystalline copper
Elsevier | 2021|Keywords: MD simulation -
Atomic-scale modeling of the void nucleation, growth, and coalescence in Al at high strain rates
Elsevier | 2019|Keywords: MD simulation -
Molecular-dynamics simulations of thermal accommodation of helium gas on a nanoparticle
Elsevier | 2011|Keywords: MD simulation -
New insight into the mechanism of biofouling-resistant thiazole-linked covalent organic frameworks for selective uranium capture from seawater
Elsevier | 2024|Keywords: MD simulation -
Molecular dynamics simulation of NH4-montmorillonite interlayer hydration: Structure, energetics, and dynamics
Elsevier | 2020|Keywords: Molecular dynamics -
cellGPU: Massively parallel simulations of dynamic vertex models
Elsevier | 2017|Keywords: Molecular dynamics -
: A molecular simulation tool for thermodynamic properties, release 3.0
Elsevier | 2017|Keywords: Molecular dynamics -
The effect of crystal-solvent interaction on crystal growth and morphology
Elsevier | 2018|Keywords: A1. MD simulation -
(py)LIon: A package for simulating trapped ion trajectories
Elsevier | 2020|Keywords: Molecular dynamics -
Adsorption of three pesticides on polyethylene microplastics in aqueous solutions: Kinetics, isotherms, thermodynamics, and molecular dynamics simulation
Elsevier | 2020|Keywords: Molecular dynamics simulation -
Sorption of sulfamethazine onto different types of microplastics: A combined experimental and molecular dynamics simulation study
Elsevier | 2019|Keywords: Molecular dynamics simulation -
Wettability of kaolinite (001) surfaces — Molecular dynamic study
Elsevier | 2011|Keywords: Molecular dynamics -
Kernel optimization for short-range molecular dynamics
Elsevier | 2016|Keywords: Molecular Dynamics -
ms2: A molecular simulation tool for thermodynamic properties, release 4.0
Elsevier | 2021|Keywords: Molecular dynamics -
i-PI: A Python interface for ab initio path integral molecular dynamics simulations
Elsevier | 2013|Keywords: Molecular dynamics -
METAGUI 3: A graphical user interface for choosing the collective variables in molecular dynamics simulations
Elsevier | 2017|Keywords: Molecular dynamics -
Breaking processes in three-dimensional bonded granular materials with general shapes
Elsevier | 2011|Keywords: Molecular dynamics -
Implementing molecular dynamics on hybrid high performance computers – short range forces
Elsevier | 2010|Keywords: Molecular dynamics -
Uranyl adsorption on (001) surfaces of kaolinite: A molecular dynamics study
Elsevier | 2013|Keywords: Molecular dynamics -
DynaPhoPy: A code for extracting phonon quasiparticles from molecular dynamics simulations
Elsevier | 2017|Keywords: Molecular dynamics -
Effects of organic modified hectorite on performance, isothermal crystallization behavior and interface interaction of poly(lactic acid) film
Elsevier | 2023|Keywords: MD simulation -
An exact measurement of nucleation incubation times in isothermal crystallizations of liquid metal Al via configuration heredity
Elsevier | 2022|Keywords: MD simulation -
Competitive adsorption of alkali ions on aqueous mica surface: A force field comparison molecular dynamics study
Elsevier | 2022|Keywords: Molecular dynamics -
Strain rate effects on tensile and compression behavior of nano-crystalline nanoporous gold: A molecular dynamic study
Elsevier | 2020|Keywords: Molecular dynamics simulations -
Wetting behavior of metakaolinite on the basal surfaces – Molecular dynamics study
Elsevier | 2020|Keywords: Molecular dynamics -
Structural and Putative Functional Role of Conserved Water Molecular Cluster in the X-ray Structures of Plant Thiol Proteases: A Molecular Dynamics Simulation Study
Online Contents | 2012|Keywords: MD-simulation -
On the nature of Pb species in Pb-exchanged zeolite stellerite (STI): A combined experimental and theoretical study
Elsevier | 2021|Keywords: Molecular dynamics -
Effect of Sodium Sulfate on Nucleation Behavior and the Crystal Morphology of Taurine
Wiley | 2021|Keywords: molecular dynamics -
Hydrodynamic forces implemented into LAMMPS through a lattice-Boltzmann fluid
Elsevier | 2013|Keywords: Molecular dynamics -
Adaptive dynamic load-balancing with irregular domain decomposition for particle simulations
Elsevier | 2015|Keywords: Molecular dynamics -
Molecular dynamics simulations of mechanical properties of monolayer MoS2
Tema Archive | 2015|Keywords: molekulardynamische Simulation -
Solubility of Nitrogen in Methane, Ethane, and Mixtures of Methane and Ethane at Titan-Like Conditions: A Molecular Dynamics Study
American Chemical Society | 2020|Keywords: molecular dynamics -
Improving bending rigidity of graphene nanoribbons by twisting
Elsevier | 2019|Keywords: Molecular dynamics -
A flexible algorithm for calculating pair interactions on SIMD architectures
Elsevier | 2013|Keywords: Molecular dynamics -
Mercury exchange in zeolites Na-A and Na-Y studied by classical molecular dynamics simulations and ion exchange experiments
Elsevier | 2021|Keywords: Molecular dynamics -
Ethylene glycol intercalation in smectites. Molecular dynamics simulation studies
Elsevier | 2014|Keywords: Molecular dynamics -
The molecular structure of kaolinite–potassium acetate intercalation complexes: A combined experimental and molecular dynamic simulation study
Elsevier | 2015|Keywords: Molecular dynamics simulation -
sDMD: An open source program for discontinuous molecular dynamics simulation of protein folding and aggregation
Elsevier | 2019|Keywords: Molecular dynamics -
Inclusion problems associated with thin fcc films: Linkage between eigenstrain and inter-atomic potential
Elsevier | 2007|Keywords: MD simulation -
Quantitative structure-activity relationships for green algae growth inhibition by polymer particles
Elsevier | 2017|Keywords: Molecular dynamics -
A molecular dynamics survey study of impact-induced amorphization in yttria nanoparticles
Elsevier | 2022|Keywords: Molecular dynamics simulation -
Nuclear receptor superfamily structural diversity in pacific oyster: In silico identification of estradiol binding candidates
Elsevier | 2023|Keywords: MD simulation -
Architecture, implementation and parallelisation of the GROMOS software for biomolecular simulation
Elsevier | 2011|Keywords: Molecular dynamics -
freud: A software suite for high throughput analysis of particle simulation data
Elsevier | 2020|Keywords: Molecular dynamics -
Structures and Transport Properties of CaCO3 Melts under Earth’s Mantle Conditions
American Chemical Society | 2018|Keywords: molecular dynamics -
a-TDEP: Temperature Dependent Effective Potential for Abinit – Lattice dynamic properties including anharmonicity
Elsevier | 2020|Keywords: Molecular dynamics
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