From 00634e68ba86626a5c1558c7026ee82fca970ba3 Mon Sep 17 00:00:00 2001 From: Alexander Wieczorek <7952557+Alex6022@users.noreply.github.com> Date: Wed, 3 Apr 2024 10:52:55 +0200 Subject: [PATCH] Update README.md --- README.md | 3 +++ 1 file changed, 3 insertions(+) diff --git a/README.md b/README.md index 733115f..c6c350f 100644 --- a/README.md +++ b/README.md @@ -2,6 +2,9 @@ This project will focus on exploring the capabilities of Bayesian optimization, specifically employing BayBE, in the discovery of novel corrosion inhibitors for materials design. Initially, we will work with a randomly chosen subset from a comprehensive database of electrochemical responses of small organic molecules. Our goal is to assess how Bayesian optimization can speed up the screening process across the design space to identify promising compounds. We will compare different strategies for incorporating alloy information, while optimizing the experimental parameters with respect to the inhibitive performance of the screened compounds. +## Final project presentation +[![](https://img.youtube.com/vi/kIRxGdwmLSY/0.jpg)](https://www.youtube.com/watch?v=kIRxGdwmLSY) + ## References - Galvão, T.L.P., Ferreira, I., Kuznetsova, A. et al. CORDATA: an open data management web application to select corrosion inhibitors. npj Mater Degrad 6, 48 (2022). - Özkan, C., Sahlmann, L., Feiler, C. et al. Laying the experimental foundation for corrosion inhibitor discovery through machine learning. npj Mater Degrad 8, 21 (2024).