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Atomistic simulation of nanoporous layered double hydroxide materials and their properties
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Ice: an impedance spectroscopy and atomistic simulation study
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Modeling of multiscale continuum-atomistic systems using homogenization theory
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Experimental and atomistic simulation studies of water sorption in polyaniline
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Theoretical studies of lipid bilayer electroporation using molecular dynamics simulations
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Experimental study and atomic simulation of protein adsorption
Molecular dynamics simulations of lipid bilayers in megavolt per meter electric fields
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Multimillion-to-billion atom molecular dynamics simulations of deformation, damage, nanoindentation, and fracture in silica glass and energetic materials
Nanomaterials under extreme environments: a study of structural and dynamic properties using reactive molecular dynamics simulations
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Molecular dynamics simulations of nanostructures
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Large-scale molecular dynamics simulations of nano-structured materials
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Capturing the complexity of ion channels: simulations of long-time dynamics, conformational changes and the effect of the membrane potential
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Dynamics of wing cracks and nanoscale damage in silica glass
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Experimental studies and computer simulation of the preparation of nanoporous silicon-carbide membranes by chemical-vapor infiltration/chemical-vapor deposition techniques
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Heat-initiated oxidation of aluminum nanoparticles
Shock-induced poration, cholesterol flip-flop and small interfering RNA transfection in a phospholipid membrane: multimillion atom, microsecond molecular dynamics simulations
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A process-based molecular model of nano-porous silicon carbide membranes
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The effects of divalent counterions on the formation and stabilization of RNA tertiary structure
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Quantum molecular dynamics simulations of hydrogen production and solar cells
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Investigating voltage activated potassium and proton channels
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Validation and optimization of microscopic molecular simulation methods for biological systems
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Computer simulation studies of charge transfer through biological and artificial membrane channels
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Nanoindentation of silicon carbide and sulfur-induced embrittlement of nickel
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Quantum molecular dynamics and machine learning for non-equilibrium processes in quantum materials
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Exploring properties of silicon-carbide nanotubes and their composites with polymers
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