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Mikkel N. Schmidt — most-cited papers & profile · AI for Science
← authors
·
overview
Mikkel N. Schmidt
10
papers ·
71
citations
Google Scholar ↗
Semantic Scholar ↗
OpenAlex ↗
Most-cited papers
Raman Spectrum Matching with Contrastive Representation Learning
2022 · 25 citations
Neural Message Passing with Edge Updates for Predicting Properties of Molecules and Materials
2018 · 17 citations
Graph Neural Network Interatomic Potential Ensembles with Calibrated Aleatoric and Epistemic Uncertainty on Energy and Forces
2023 · 12 citations
Coherent energy and force uncertainty in deep learning force fields
2023 · 8 citations
Calibrated Uncertainty for Molecular Property Prediction using Ensembles of Message Passing Neural Networks
2021 · 1 citations
Same Graph, Different Likelihoods: Calibration of Autoregressive Graph Generators via Permutation-Equivalent Encodings
2026
Practical Deep Heteroskedastic Regression
2026
Top co-authors
Jonas Busk
· 3
Ole Winther
· 3
Peter Bjørn Jørgensen
· 3
Michael Riis Andersen
· 2
Tejs Vegge
· 2
Aaron Thomas
· 1
Arghya Bhowmik
· 1
Bo Li
· 1
James Harrison
· 1
Jonas Vestergaard Jensen
· 1
Karsten W. Jacobsen
· 1
Laurits Fredsgaard
· 1
Topics
Chemistry
Materials
Drug Discovery
Medical AI
Physics ML