May 04, 2011 article Geometry optimization Wiley Interdisciplinary Reviews Computational Molecular Science DOI: 10.1002/wcms.34 OpenAlex Authors 0 Author list not loaded yet. Cited by 4 stored of 392 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 Tensor Train Optimization for Conformational Sampling of Organic Molecules 2025 Journal of Chemical Theory and Computation article Biochemistry, Genetics and Molecular Biology Protein Structure and Dynamics 7 citations CREST—A program for the exploration of low-energy molecular chemical space 2024 The Journal of Chemical Physics article Chemistry Various Chemistry Research Topics Open access cited by 2 patents 571 citations Fast Screening of Minimum Energy Crossing Points with Semiempirical Tight-Binding Methods 2022 Journal of Chemical Theory and Computation article Materials Science Photochromic and Fluorescence Chemistry 22 citations An approximation strategy to compute accurate initial density matrices for repeated self-consistent field calculations at different geometries 2020 Molecular Physics article Physics and Astronomy Spectroscopy and Quantum Chemical Studies Open access 19 citations 4 results References 0