Implicit self-consistent electrolyte model in plane-wave density-functional theory

K Mathew, VS Kolluru, S Mula, SN Steinmann… - The Journal of …, 2019 - pubs.aip.org
The ab initio computational treatment of electrochemical systems requires an appropriate
treatment of the solid/liquid interfaces. A fully quantum mechanical treatment of the interface …

Implicit self-consistent electrolyte model in plane-wave density-functional theory

K Mathew, VS Chaitanya Kolluru, S Mula… - arXiv e …, 2016 - ui.adsabs.harvard.edu
The ab-initio computational treatment of electrochemical systems requires an appropriate
treatment of the solid/liquid interfaces. A fully quantum mechanical treatment of the interface …

[引用][C] Implicit self-consistent electrolyte model in plane-wave density-functional theory

K Mathew, VS Kolluru, S Mula, SN Steinmann… - The Journal of …, 2019 - par.nsf.gov

Implicit self-consistent electrolyte model in plane-wave density-functional theory.

K Mathew, VSC Kolluru, S Mula… - The Journal of …, 2019 - europepmc.org
The ab initio computational treatment of electrochemical systems requires an appropriate
treatment of the solid/liquid interfaces. A fully quantum mechanical treatment of the interface …

Implicit self-consistent electrolyte model in plane-wave density-functional theory

K Mathew, VSC Kolluru, S Mula… - Journal of Chemical …, 2019 - hal.science
The ab-initio computational treatment of electrochemical systems requires an appropriate
treatment of the solid/liquid interfaces. A fully quantum mechanical treatment of the interface …

Implicit self-consistent electrolyte model in plane-wave density-functional theory

K Mathew, VSC Kolluru, S Mula… - The Journal of …, 2019 - aip.scitation.org
The ab initio computational treatment of electrochemical systems requires an appropriate
treatment of the solid/liquid interfaces. A fully quantum mechanical treatment of the interface …

Implicit self-consistent electrolyte model in plane-wave density-functional theory

K Mathew, VS Kolluru, S Mula, SN Steinmann… - arXiv preprint arXiv …, 2016 - arxiv.org
The ab-initio computational treatment of electrochemical systems requires an appropriate
treatment of the solid/liquid interfaces. A fully quantum mechanical treatment of the interface …

Implicit self-consistent electrolyte model in plane-wave density-functional theory

K Mathew, VSC Kolluru, S Mula… - The Journal of …, 2019 - pubmed.ncbi.nlm.nih.gov
The ab initio computational treatment of electrochemical systems requires an appropriate
treatment of the solid/liquid interfaces. A fully quantum mechanical treatment of the interface …

[引用][C] Implicit self-consistent electrolyte model in plane-wave density-functional theory

K Mathew, VSC Kolluru, S Mula… - The Journal of …, 2019 - cir.nii.ac.jp
Implicit self-consistent electrolyte model in plane-wave density-functional theory | CiNii
Research CiNii 国立情報学研究所 学術情報ナビゲータ[サイニィ] 論文・データをさがす 大学 …

[PDF][PDF] Implicit self-consistent electrolyte model in plane-wave density-functional theory

K Mathew, VSC Kolluru, S Mula, SN Steinmann… - academia.edu
The ab-initio computational treatment of electrochemical systems requires an appropriate
treatment of the solid/liquid interfaces. A fully quantum mechanical treatment of the interface …