March 08, 2002 article Open access First-principles simulation: ideas, illustrations and the CASTEP code Journal of Physics Condensed Matter DOI: 10.1088/0953-8984/14/11/301 Full text (OA) OpenAlex Authors 0 Author list not loaded yet. Cited by 5 stored of 11,940 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 fatigue-resistant steels: Interfacial fatigue crack mechanisms in complex inclusions revealed by TEM and atomic simulations 2025 Materials & Design article Engineering Fatigue and fracture mechanics Open access 2 citations Phonons from density-functional perturbation theory using the all-electron full-potential linearized augmented plane-wave method FLEUR * 2023 Electronic Structure article Physics and Astronomy Advanced Chemical Physics Studies Open access 9 citations Analysis of KF behavior and inverse reaction molecular kinetics simulation in the vacuum carbothermic reduction of magnesium oxide 2023 Journal of Alloys and Compounds article Engineering Metallurgical Processes and Thermodynamics 13 citations Forced Disorder in the Solid Solution Li 3 P–Li 2 S: A New Class of Fully Reduced Solid Electrolytes for Lithium Metal Anodes 2022 Journal of the American Chemical Society article Engineering Advanced Battery Materials and Technologies Open access cited by 2 patents 47 citations Evaluating heat pump system design methods towards a sustainable heat supply in residential buildings 2021 Applied Energy article Engineering Building Energy and Comfort Optimization 35 citations 5 results References 0