[HTML][HTML] Simulations of nanocrystals under pressure: Combining electronic enthalpy and linear-scaling density-functional theory
We present an implementation in a linear-scaling density-functional theory code of an
electronic enthalpy method, which has been found to be natural and efficient for the ab initio …
electronic enthalpy method, which has been found to be natural and efficient for the ab initio …
Simulations of nanocrystals under pressure: Combining electronic enthalpy and linear-scaling density-functional theory
NRC Corsini, A Greco, PD Haynes… - Journal of Chemical …, 2013 - inis.iaea.org
[en] We present an implementation in a linear-scaling density-functional theory code of an
electronic enthalpy method, which has been found to be natural and efficient for the ab initio …
electronic enthalpy method, which has been found to be natural and efficient for the ab initio …
Simulations of nanocrystals under pressure: Combining electronic enthalpy and linear-scaling density-functional theory
NRC Corsini, A Greco, PD Haynes, NDM Hine… - Journal of Chemical …, 2013 - osti.gov
We present an implementation in a linear-scaling density-functional theory code of an
electronic enthalpy method, which has been found to be natural and efficient for the ab initio …
electronic enthalpy method, which has been found to be natural and efficient for the ab initio …
Simulations of nanocrystals under pressure: combining electronic enthalpy and linear-scaling density-functional theory.
NR Corsini, A Greco, ND Hine, C Molteni… - The Journal of …, 2013 - europepmc.org
We present an implementation in a linear-scaling density-functional theory code of an
electronic enthalpy method, which has been found to be natural and efficient for the ab initio …
electronic enthalpy method, which has been found to be natural and efficient for the ab initio …
[PDF][PDF] Simulations of nanocrystals under pressure: Combining electronic enthalpy and linear-scaling density-functional theory
NRC Corsini, A Greco, NDM Hine… - THE JOURNAL OF …, 2013 - researchgate.net
In recent years, the study of nanomaterials under pressure has acquired increased scientific
and technological importance. 1 In part due to their large ratio of surface to volume atoms …
and technological importance. 1 In part due to their large ratio of surface to volume atoms …
Simulations of nanocrystals under pressure: Combining electronic enthalpy and linear-scaling density-functional theory
NRC Corsini, A Greco, NDM Hine, C Molteni… - The Journal of …, 2013 - pubs.aip.org
In recent years, the study of nanomaterials under pressure has acquired increased scientific
and technological importance. 1 In part due to their large ratio of surface to volume atoms …
and technological importance. 1 In part due to their large ratio of surface to volume atoms …
[PDF][PDF] Simulations of nanocrystals under pressure: Combining electronic enthalpy andlinear-scaling density-functional theory
NRC Corsini, A Greco, NDM Hine, C Molteni… - The Journal of …, 2013 - core.ac.uk
In recent years, the study of nanomaterials under pressure has acquired increased scientific
and technological importance. 1 In part due to their large ratio of surface to volume atoms …
and technological importance. 1 In part due to their large ratio of surface to volume atoms …
Simulations of nanocrystals under pressure: Combining electronic enthalpy and linear-scaling density-functional theory
NRC Corsini, A Greco, NDM Hine… - Journal of Chemical …, 2013 - ui.adsabs.harvard.edu
We present an implementation in a linear-scaling density-functional theory code of an
electronic enthalpy method, which has been found to be natural and efficient for the ab initio …
electronic enthalpy method, which has been found to be natural and efficient for the ab initio …
Simulations of nanocrystals under pressure: combining electronic enthalpy and linear-scaling density-functional theory
NRC Corsini, A Greco, N Hine… - Journal of Chemical …, 2013 - wrap.warwick.ac.uk
We present an implementation in a linear-scaling density-functional theory code of an
electronic enthalpy method, which has been found to benatural and efficient for the ab initio …
electronic enthalpy method, which has been found to benatural and efficient for the ab initio …
[PDF][PDF] King's Research Portal
NRC Corsini, A Greco, NDM Hine… - The Journal of …, 2013 - scholar.archive.org
In recent years, the study of nanomaterials under pressure has acquired increased scientific
and technological importance. 1 In part due to their large ratio of surface to volume atoms …
and technological importance. 1 In part due to their large ratio of surface to volume atoms …