December 04, 2018 article Open access Open-Source, Python-Based Redevelopment of the ChemShell Multiscale QM/MM Environment Journal of Chemical Theory and Computation DOI: 10.1021/acs.jctc.8b01036 Full text (OA) OpenAlex Authors 0 Author list not loaded yet. Cited by 3 stored of 106 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 MiMiC: A high-performance framework for multiscale molecular dynamics simulations 2024 The Journal of Chemical Physics article Physics and Astronomy Advanced Chemical Physics Studies Open access 12 citations Prediction of suitable catalysts for the OCM reaction by combining an evolutionary approach and machine learning 2023 Energy Advances article Materials Science Machine Learning in Materials Science Open access 6 citations Quantum Chemistry Common Driver and Databases (QCDB) and Quantum Chemistry Engine (QCE ngine ): Automation and interoperability among computational chemistry programs 2021 The Journal of Chemical Physics article Physics and Astronomy Advanced Chemical Physics Studies Open access 52 citations 3 results References 0