Ab initio constraints on mantle dynamics and core mantle interactions

We use quantum mechanical theory (density functional theory) and develop statistical methods such as Monte Carlo techniques, molecular dynamics, thermodynamic integration, genetic algorithms in conjunction with machine learning to understand more about deep earth processes and core-mantle
interactions.

We try to constraint at the atomistic level the mineralogy in the lower mantle, deep earth water cycles and melting processes. This is to better understand the Earth's evolution and dynamics in line with CEEDs objectives.

Tags: Active learning, Computational quantum mechanics, Ensemble learning, Monte Carlo methods, Optimization, Massive parallelism/parallel computing, Machine Learning/Artificial Intelligence
Published July 6, 2023 1:04 PM - Last modified Oct. 23, 2023 11:47 AM