… insights available from computational chemistry methods. … of computational chemistry and
machine learning methods, … how computational chemistry and machine learning can be used …

… focus on how deep learning differs from traditional machine learning algorithms that are
used in computational chemistry, and how the ongoing resurgence of deep learning differs from …

… of machine learning techniques that have recently appeared in the computational chemistry
… This review provides a survey of machine learning techniques that have recently appeared …

… Machine learning (ML) methods are being used in almost … an overview of how atomistic
computational modeling is being … of ML methods with computational chemistry and materials …

… computational cost and accuracy that can be leveraged through data-driven techniques. In
this chapter, we will analyze how computational chemistry … , machine learning techniques that …

… To this end, we also include computational chemistry open-source … for machine learning.
Based on our observations and considering the three pillars of collaborative machine learning …

… of artificial intelligence, including its subset machine learning, have become major problem-…
of computational chemistry, artificial intelligence, and machine learning in aquatic chemistry …

… The example above is not from physical chemistry and is chosen to illustrate the effect of an
extremely large D. As ML makes further inroads into physical and computational chemistry, it …

… We start with an overview of selected machine learning techniques that have recently been
suggested for the improvement of NEB calculation performance. We summarize the main …

… of machine learning and computational chemistry methods, … the domain knowledge and
employ machine learning only as a … mechanics, using machine learning to predict corrections to …