Results 281 to 290 of about 3,784,520 (317)

Molecular dynamics (MD) simulations for polymers

Journal of Physics: Condensed Matter, 1990
The authors review some recent MD simulations for polymer melts. For the melt chains of up to six entanglement lengths are taken into account. The data strongly support the reptation picture.
Kremer, K., Grest, G.
openaire   +2 more sources

CONSTANT PRESSURE MD SIMULATION METHOD

Molecular Crystals and Liquid Crystals, 2004
By introducing an anisotropic factor in the cell dynamics of constant pressure molecular dynamics simulations, we dramatically reduce the artifacts related to cell shapes and overcome the difficulties of simulating anisotropic molecules under hydrostatic pressure.
K. M. Aoki, M. Yoneya, H. Yokoyama
openaire   +1 more source

EPAC2 MD Simulation

In eukaryotes, the exchange protein directly activated by cAMP (EPAC) is a crucial cAMP receptor that regulates important signaling cascades. It has been demonstrated that auto-inhibition is an approach used by epac proteins to regulate the balance between the active and inactive states.
openaire   +1 more source

Practical quantum advantage in quantum simulation

Nature, 2022
Andrew J Daley, Immanuel Bloch, Matthias Troyer   +2 more
exaly  

Temperature Control in MD Simulations

2022
openaire   +1 more source

Development of Simulation Software for NPT-MD

2004
Abstract : This report details the development of simulation software for the Common High Performance Computing Software Support Initiative Project: Visual extensible Molecular Dynamics. The software was designed for use in the NPT Ensemble of the Message Passing Interface-based program Novice-MD.
openaire   +1 more source

Tools for quantum simulation with ultracold atoms in optical lattices

Nature Reviews Physics, 2020
Yosuke Takasu, Yoshiro Takahashi, Seiji Sugawa   +2 more
exaly  

Healthcare Simulation Standards of Best PracticeTM Simulation Design

Clinical Simulation in Nursing, 2021
Jocelyn Ludlow, Penni Watts, Guillaume Alinier   +2 more
exaly  

Simulation Model Predicts Cost Savings from Colorectal Cancer Screening

Ca-A Cancer Journal for Clinicians, 2010
John Henry Dreyfuss
exaly  

Quantum simulation of a Fermi–Hubbard model using a semiconductor quantum dot array

Nature, 2017
Cornelis Jacobus van Diepen, Werner Wegscheider   +1 more
exaly