A chemical potential equalization approach to constant potential polarizable electrodes for electrochemical-cell simulations

Applied Potentials in Variable-Charge Reactive Force Fields for Electrochemical Systems

(2018) Tao Liang et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Simulations of Coulomb systems confined by polarizable surfaces using periodic Green functions

(2017) Alexandre P. dos Santos et al.   JOURNAL OF CHEMICAL PHYSICS

On the application of constant electrode potential simulation techniques in atomistic modelling of electric double layers

(2017) Jenel Vatamanu et al.   MOLECULAR SIMULATION

Ion–Image Interactions and Phase Transition at Electrolyte–Metal Interfaces

(2016) Alpha A. Lee et al.   Journal of Physical Chemistry Letters

Neural network molecular dynamics simulations of solid–liquid interfaces: water at low-index copper surfaces

(2016) Suresh Kondati Natarajan et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Voltage equilibration for reactive atomistic simulations of electrochemical processes

(2015) Nicolas Onofrio et al.   JOURNAL OF CHEMICAL PHYSICS

Local order of liquid water at metallic electrode surfaces

(2015) Luana S. Pedroza et al.   JOURNAL OF CHEMICAL PHYSICS

Molecular Dynamics Simulation of Water between Metal Walls under an Electric Field: Dielectric Response and Dynamics after Field Reversal

(2015) Kyohei Takae et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Water Exchange at a Hydrated Platinum Electrode is Rare and Collective

(2015) David T. Limmer et al.   Journal of Physical Chemistry C

Evaluation of the constant potential method in simulating electric double-layer capacitors

(2014) Zhenxing Wang et al.   JOURNAL OF CHEMICAL PHYSICS

Molecular dynamics simulations of an electrified water/Pt(111) interface using point charge dissociative water

(2013) Kuan-Yu Yeh et al.   ELECTROCHIMICA ACTA

A Computationally Efficient Treatment of Polarizable Electrochemical Cells Held at a Constant Potential

(2012) Matt K. Petersen et al.   Journal of Physical Chemistry C

Charge-transfer model for carbonaceous electrodes in polar environments

(2011) Lars Pastewka et al.   PHYSICAL REVIEW B

A wave-function based approach for polarizable charge model: Systematic comparison of polarization effects on protic, aprotic, and ionic liquids

(2010) Hiroshi Nakano et al.   JOURNAL OF CHEMICAL PHYSICS

Long ranged interactions in computer simulations and for quasi-2D systems

(2010) Martial Mazars   PHYSICS REPORTS-REVIEW SECTION OF PHYSICS LETTERS

Properties of metal–water interfaces studied from first principles

(2009) Sebastian Schnur et al.   NEW JOURNAL OF PHYSICS

Water at an electrochemical interface—a simulation study

(2008) Adam P. Willard et al.   FARADAY DISCUSSIONS

Electrochemical charge transfer at a metallic electrode: A simulation study

(2008) Stewart K. Reed et al.   JOURNAL OF CHEMICAL PHYSICS

Accurate Simulation of Surfaces and Interfaces of Face-Centered Cubic Metals Using 12−6 and 9−6 Lennard-Jones Potentials

(2008) Hendrik Heinz et al.   Journal of Physical Chemistry C