April 10, 2015 article Open access Big Data Meets Quantum Chemistry Approximations: The Δ-Machine Learning Approach Journal of Chemical Theory and Computation DOI: 10.1021/acs.jctc.5b00099 Full text (OA) OpenAlex Authors 0 Author list not loaded yet. Cited by 5 stored of 922 Search Sort Most cited Newest Oldest Patent citations Title Any typearticle review book-chapter conference-paper preprint dissertation book dataset other Any fieldAgricultural and Biological Sciences Arts and Humanities Biochemistry, Genetics and Molecular Biology Business, Management and Accounting Chemical Engineering Chemistry Computer Science Decision Sciences Dentistry Earth and Planetary Sciences Economics, Econometrics and Finance Energy Engineering Environmental Science Health Professions Immunology and Microbiology Materials Science Mathematics Medicine Neuroscience Nursing Pharmacology, Toxicology and Pharmaceutics Physics and Astronomy Psychology Social Sciences Veterinary Open access Towards the design of artificial sensing materials via quantum-informed explainable AI 2026 Journal of Cheminformatics article Materials Science Machine Learning in Materials Science Open access 2 citations Towards sustainable exploration of chemical spaces with machine learning 2026 Digital Discovery article Materials Science Machine Learning in Materials Science Open access 0 citations Overview on Building Blocks and Applications of Efficient and Robust Extended Tight Binding 2025 The Journal of Physical Chemistry A article Physics and Astronomy Advanced Chemical Physics Studies Open access 24 citations The first HyDRA challenge for computational vibrational spectroscopy 2023 Physical Chemistry Chemical Physics article Physics and Astronomy Spectroscopy and Quantum Chemical Studies Open access 37 citations Potential Application of Machine-Learning-Based Quantum Chemical Methods in Environmental Chemistry 2022 Environmental Science & Technology article Materials Science Machine Learning in Materials Science Open access 61 citations 5 results References 0