scholarly journals Molecular Dynamics Force-Field Refinement against Quasi-Elastic Neutron Scattering Data

2015 ◽  
Vol 12 (1) ◽  
pp. 9-17 ◽  
Author(s):  
Jose M. Borreguero ◽  
Vickie E. Lynch
Keyword(s):  
Molecular Dynamics ◽  
Force Field ◽  
Neutron Scattering ◽  
Scattering Data ◽  
Elastic Neutron ◽  
Elastic Neutron Scattering

scholarly journals Modeling the dynamics of phospholipids in the fluid phase of liposomes

Soft Matter ◽  
2020 ◽  
Vol 16 (13) ◽  
pp. 3245-3256 ◽  
Author(s):  
Sudipta Gupta ◽  
Gerald J. Schneider
Keyword(s):  
Neutron Scattering ◽  
Spin Echo ◽  
Fluid Phase ◽  
Scattering Data ◽  
Neutron Spin ◽  
Elastic Neutron ◽  
New Model ◽  
Neutron Spin Echo ◽  
Elastic Neutron Scattering

We present the derivation of a new model to describe neutron spin echo spectroscopy and quasi-elastic neutron scattering data on liposomes.

Na ion dynamics in P2-Nax[Ni1/3Ti2/3]O2: a combination of quasi-elastic neutron scattering and first-principles molecular dynamics study

2020 ◽  
Vol 8 (47) ◽  
pp. 25290-25297
Author(s):  
Qian Chen ◽  
Niina H. Jalarvo ◽  
Wei Lai
Keyword(s):  
Molecular Dynamics ◽  
Neutron Scattering ◽  
First Principles ◽  
Md Simulations ◽  
First Principle ◽  
Ion Dynamics ◽  
Elastic Neutron ◽  
Elastic Neutron Scattering ◽  
First Principles Molecular Dynamics

The Na dynamics in P2-Nax[Ni1/3Ti2/3]O2 were investigated through a combination of QENS experiments and first-principle MD simulations.

scholarly journals mQfit, a new program for analyzing quasi-elastic neutron scattering data

2015 ◽  
Vol 83 ◽  
pp. 03010 ◽  
Author(s):  
Nicolas Martinez ◽  
Francesca Natali ◽  
Judith Peters
Keyword(s):  
Neutron Scattering ◽  
Scattering Data ◽  
Elastic Neutron ◽  
Elastic Neutron Scattering

Diffusion of Propane in Zeolite NaY: A Molecular Dynamics and Quasi-Elastic Neutron Scattering Study

2003 ◽  
Vol 107 (2) ◽  
pp. 527-533 ◽  
Author(s):  
Ahmed Sayeed ◽  
S. Mitra ◽  
A. V. Anil Kumar ◽  
R. Mukhopadhyay ◽  
S. Yashonath ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Neutron Scattering ◽  
Elastic Neutron ◽  
Zeolite Nay ◽  
Scattering Study ◽  
Elastic Neutron Scattering ◽  
Neutron Scattering Study
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