December 19, 2004 article Using automatic differentiation to compute derivatives for a quantum-chemical computer program Future Generation Computer Systems DOI: 10.1016/j.future.2004.11.011 OpenAlex Authors 0 Author list not loaded yet. Cited by 1 stored of 14 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 Automatic Differentiation for Enhanced Potential Energy Surface Navigation: Improved Minimum and Transition State Search in Molecular Dynamics 2026 Journal of Chemical Theory and Computation article Physics and Astronomy Advanced Chemical Physics Studies 0 citations 1 result References 0