Login / Signup
Contributions of pauli repulsions to the energetics and physical properties computed in QM/MM methods.
Yingdi Jin
Erin R. Johnson
Xiangqian Hu
Weitao Yang
Hao Hu
Published in:
J. Comput. Chem. (2013)
Keyphrases
</>
significant improvement
computational cost
qualitative and quantitative
machine learning algorithms
machine learning methods
computationally expensive
desirable properties
neural network
artificial intelligence
preprocessing
artificial neural networks
mathematical models
physical models