A generalized Poisson and Poisson-Boltzmann solver for electrostatic environments.

Keywords

Poisson–Boltzmann equation, Poisson distribution, Statistical physics, Solver, Physics

References

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Cited by

• A generalized Poisson solver for first-principles device simulations.Mohammad Hossein Bani-Hashemian, Sascha Brück, Mathieu Luisier — 2016
• Function-Space-Based Solution Scheme for the Size-Modified Poisson-Boltzmann Equation in Full-Potential DFT.Stefan Ringe, Harald Oberhofer, Christoph Hille — 2016
• The Hydrated Electron at the Surface of Neat Liquid Water Appears To Be Indistinguishable from the Bulk Species.Marc P. Coons, Zhi‐Qiang You, John M. Herbert — 2016
• Challenges in large scale quantum mechanical calculationsLaura E. Ratcliff, Stephan Mohr, Georg Huhs — 2016
• Concepts and computational methods for the electrochemical interface and applications: Past, present, and futureAlfred B. Anderson — 2017
• Nanoscale electrical measurements in liquids using AFM - progress and outlookLiam Collins, Jason I. Kilpatrick, Sergei V. Kalinin — 2017
• Quantum chemical modeling of tri-Mn-substituted W-based Keggin polyoxoanionsAlena Kremleva, Pablo A. Aparicio, Alexander Genest — 2017
• Evaluating continuum solvation models for the electrode-electrolyte interface: challenges and strategies for improvementRavishankar Sundararaman, Kathleen Schwarz — 2016
• Transferable ionic parameters for first-principles Poisson-Boltzmann solvation calculations: Neutral solutes in aqueous monovalent salt solutions.Stefan Ringe, Harald Oberhofer, Karsten Reuter — 2017
• Atomic scale simulations of heterogeneous electrocatalysis: recent advancesEgill Skúlason, Hannes Jónsson — 2017
• Complexity Reduction in Large Quantum Systems: Reliable Electrostatic Embedding for Multiscale Approaches via Optimized Minimal Basis FunctionsStephan Mohr, Michel Masella, Laura E. Ratcliff — 2017
• Improving Continuum Models to Define Practical Limits for Molecular Models of Electrified InterfacesArtem Baskin, David Prendergast — 2017
• Soft-Sphere Continuum Solvation in Electronic-Structure Calculations.Giuseppe Fisicaro, Luigi Genovese, Oliviero Andreussi — 2017
• Advanced capabilities for materials modelling with Quantum ESPRESSOP Giannozzi, O Andreussi, T Brumme — 2017
• Recent Developments and Applications of the MMPBSA MethodChanghao Wang, D’Artagnan Greene, Li Xiao — 2018
• DL_MG: A Parallel Multigrid Poisson and Poisson-Boltzmann Solver for Electronic Structure Calculations in Vacuum and Solution.James C. Womack, Lucian Anton, Jacek Dziedzic — 2018
• Solvent Effects for Vertical Ionization Processes in Liquid Water and at the Liquid-Vapor InterfaceMarc P. Coons — 2017
• A domain decomposition method for the polarizable continuum model based on the solvent excluded surfaceChaoyu Quan, Benjamin Stamm, Yvon Maday — 2018
• Affordable and accurate large-scale hybrid-functional calculations on GPU-accelerated supercomputersLaura E. Ratcliff, Augustin Degomme, José A. Flores‐Livas — 2018
• Electronic structure calculations on electrolyte–electrode interfaces: Successes and limitationsRyosuke Jinnouchi, Kensaku Kodama, Yu Morimoto — 2018

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