Pascal Pernot

1. DFT exchange: sharing perspectives on the workhorse of quantum chemistry and materials science
   2022/01/01 by Andrew M. Teale, Trygve Helgaker, Andreas Savin +67 · 21 citations
   Chemical Engineering · Materials Science · Physics and Astronomy · #Advanced Chemical Physics Studies #Catalysis and Oxidation Reactions #Machine Learning in Materials Science
2. Acknowledging user requirements for accuracy in computational chemistry benchmarks
   2020/04/01 by Andreas Savin, Savin, Andreas, Pascal Pernot +1 · 1 citation
   Computer Science · Decision Sciences · Materials Science · #Chemical Physics (physics.chem-ph) #Computational Drug Discovery Methods #Data Analysis #FOS: Physical sciences #Machine Learning in Materials Science #Scientific Computing and Data Management #Statistics and Probability (physics.data-an)
3. Can bin-wise scaling improve consistency and adaptivity of prediction uncertainty for machine learning regression ?
   2023/10/18 by Pascal Pernot, Pernot, Pascal · 1 citation
   Computer Science · Materials Science · #Chemical Physics (physics.chem-ph) #Data Analysis #FOS: Computer and information sciences #FOS: Physical sciences #Machine Learning (cs.LG) #Machine Learning (stat.ML) #Machine Learning and Data Classification #Machine Learning in Materials Science #Neural Networks and Applications #Statistics and Probability (physics.data-an)