- anions
- DFT
- electrocatalysis
- math
- code
- basics
- external-services
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Analytical Grand Canonical DFT - Specific Anion Adsorption
Using the analytical Grand Canonical DFT framework, we are calculating Equilibrium Potential and the electrosorption valency of specifically adsorbed anions with some code too.
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Basics of Electrochemical Double Layer Models
A brief overview of different models of the electrode-electrolyte interface and the resulting classical electrochemical double layer models.
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The Grand Canonical dilemma of using default DFT simulation to model Electrocatalysis
Default DFT simulations are inherently Canonical simulations. Electrocatalysis (real life) is Grand Canonical. Here we discuss how to correct DFT simulations to represent Grand Canonical Simulations.
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Basics of Equilibrium Anion Adsorption Potentials
Calculating Equilibrium Potential of Specific Anion Adsorption
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Google Gemini updates: Flash 1.5, Gemma 2 and Project Astra
We’re sharing updates across our Gemini family of models and a glimpse of Project Astra, our vision for the future of AI assistants.