Training machine learning potentials for reactive systems: A Colab tutorial on basic models.
Xiaoliang PanRyan SnyderJia-Ning WangChance LanderCarly WickizerRichard VanAndrew ChesneyYuanfei XueYuezhi MaoYe MeiJingzhi PuYihan ShaoPublished in: J. Comput. Chem. (2024)
Keyphrases
- reactive systems
- machine learning
- machine learning algorithms
- machine learning methods
- probabilistic model
- model selection
- information systems
- support vector machine
- artificial intelligence
- machine learning approaches
- learning algorithm
- decision making
- web services
- case study
- training set
- real time
- low cost
- error rate
- social networks
- working environment
- application of machine learning methods