Maria Ruhr
Atomic and Molecular Physics, and Optics · 2015
A researcher in the Science corpus: 1 paper; trusts 2 researchers and is trusted by 0 researchers here, as inferred from the citation graph.
Subfields
- Atomic and Molecular Physics, and Optics — 12 citations into it
- Organic Chemistry — 10 citations into it
Whom Maria Ruhr trusts
Their strongest outbound trust, strongest first, inferred from their citations.
- James J. P. Stewart (in Atomic and Molecular Physics, and Optics)
- David Ruppert (in Evaluation & Benchmarks)
Papers from Maria Ruhr's perspective
Ordered by how strongly the researchers Maria Ruhr trusts endorse each paper. Same corpus, a different order for every researcher.
- Virtual screening: an endless staircase?
- Fast and accurate modeling of molecular atomization energies with machine learning.
- Chemical space
- The Elements of Statistical Learning: Data Mining, Inference, and Prediction
- Assessment and Validation of Machine Learning Methods for Predicting Molecular Atomization Energies.
- Enumeration of 166 Billion Organic Small Molecules in the Chemical Universe Database GDB-17
- Click Chemistry: Diverse Chemical Function from a Few Good Reactions. (Angewandte Chemie)
- Machine learning of molecular electronic properties in chemical compound space
- Functional designed to include surface effects in self-consistent density functional theory
- Optimization of parameters for semiempirical methods VI: more modifications to the NDDO approximations and re-optimization of parameters
Their papers
- Big Data Meets Quantum Chemistry Approximations: The Δ-Machine Learning Approach. (2015) — 794 citations