Results 61 to 70 of about 1,994,057 (402)
A review of advancements in coarse-grained molecular dynamics simulations
Molecular Simulation, 2020 Over the last few years, coarse-grained molecular dynamics has emerged as a way to model large and complex systems in an efficient and inexpensive manner due to its lowered resolution, faster dynamics, and larger time steps.
Soumil Y. Joshi, Sanket A. Deshmukh
semanticscholar +1 more source
Journal of Applied Clinical Medical Physics, EarlyView.Abstract Purpose An evaluation of the accuracy, safety, and efficiency of the Halcyon ring delivery system (RDS) for stereotactic radiosurgery (SRS) treatment to relatively small (1–3 cm) brain lesions. Methods After completing the extensive in‐house quality assurance checks including Winston–Lutz test and independent dose verification via MD Anderson ...
Kate Hazelwood +5 more
wiley +1 more source
Molecular dynamics simulation of multi-pass nano-grinding process
MATEC Web of Conferences, 2018 Grinding involves the use of a large number of micrometric abrasive grains in order to remove material from workpiece surface efficiently and finally render a high quality surface. More specifically, grinding in the nano-metric level serves for attaining
Karkalos Nikolaos E. +1 more
doaj +1 more source
Atomistic simulation of structure and dynamics of columnar phases of hexabenzocoronene derivatives [PDF]
, 2006 Using atomistic molecular dynamics simulations we study solid and liquid crystalline columnar discotic phases formed by alkyl-substituted hexabenzocoronene mesogens. Correlations between the molecular structure, packing, and dynamical properties of these materials are established.
arxiv +1 more source
Graphene-based tortional resonator from molecular dynamics simulation
, 2011 Molecular dynamics simulations are performed to study graphene-based torsional mechanical resonators. The quality factor is calculated by $Q_{F}=\omega\tau/2\pi$, where the frequency $\omega$ and life time $\tau$ are obtained from the correlation ...
Jiang, Jin-Wu, Wang, Jian-Sheng
core +1 more source
Molecular dynamics simulations of weak detonations [PDF]
Physical Review E, 2011 38 pages, 20 figures.
Am-Shallem, Morag +3 more
openaire +6 more sources
Current and Future Cornea Chip Models for Advancing Ophthalmic Research and Therapeutics
Advanced Biology, EarlyView.This review analyzes cornea chip technology as an innovative solution to corneal blindness and tissue scarcity. The examination encompasses recent developments in biomaterial design and fabrication methods replicating corneal architecture, highlighting applications in drug screening and disease modeling while addressing key challenges in mimicking ...
Minju Kim +3 more
wiley +1 more source
Molecular Dynamics Simulation of Polyacrylamide Adsorption on Calcite
Molecules, 2023 In poorly consolidated carbonate rock reservoirs, solids production risk, which can lead to increased environmental waste, can be mitigated by injecting formation-strengthening chemicals. Classical atomistic molecular dynamics (MD) simulation is employed
Keat Yung Hue +5 more
doaj +1 more source
Reduced-Order Computational Model for the Molecular Dynamics Simulation of Entangled Polymers [PDF]
arXiv, 2020 We present a new reduced-order computational method for the molecular dynamics simulation of entangled polymer systems. The polymer chains are modeled as continuous Gaussian chains. Our algorithm is based on the application of the molecular dynamics simulation method to the pseudospectral representation of the Fourier modes of the chains.
arxiv
Quantum Car-Parrinello Molecular Dynamics: A Cost-Efficient Molecular Simulation Method on Near-Term Quantum Computers [PDF]
arXiv, 2022 In this paper, we propose a cost-reduced method for finite-temperature molecular dynamics on a near-term quantum computer, Quantum Car-Parrinello molecular dynamics (QCPMD). One of the most promising applications of near-term quantum computers is quantum chemistry.
arxiv