Machine Learning

How lignin sticks to cellulose—insights from atomic force microscopy enhanced by machine-learning analysis and molecular dynamics simulations
Application of data analysis and machine learning on experimental data. Data cleaning and transformation. Noise reduction with PCA. Time series clustering.
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How lignin sticks to cellulose—insights from atomic force microscopy enhanced by machine-learning analysis and molecular dynamics simulations
Linear Jacobi-Legendre expansion of the charge density for machine learning-accelerated electronic structure calculations
Fingerprint coding. Data transformation. Regression Analysis. Deployment of regression model to application.
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Linear Jacobi-Legendre expansion of the charge density for machine learning-accelerated electronic structure calculations
Machine learning for materials discovery: Two-dimensional topological insulators
Data mining. Feature transformation & Feature Engineering. Classification model. Model deployment to discover new materials.
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Machine learning for materials discovery: Two-dimensional topological insulators
Machine learning of microscopic ingredients for graphene oxide/cellulose interaction
Feature transformation & feature engineering. Insights from regression and classification models. Data visualization.
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Machine learning of microscopic ingredients for graphene oxide/cellulose interaction