Machine Learning with and for Molecular Dynamics Simulations
From simple clustering techniques to more sophisticated neural networks, the use of machine learning has become a valuable tool in many fields of chemistry in the past decades. Here, we describe two different ways in which we explore the combination of machine learning (ML) and molecular d...
| Main Authors: | , , , , |
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| Format: | Article |
| Language: | deu |
| Published: |
Swiss Chemical Society
2019-12-01
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| Series: | CHIMIA |
| Subjects: | |
| Online Access: | https://www.chimia.ch/chimia/article/view/1354 |