April 20, 2019 article Open access Density functional theory calculations: A powerful tool to simulate and design high-performance energy storage and conversion materials Progress in Natural Science Materials International DOI: 10.1016/j.pnsc.2019.04.003 Full text (OA) OpenAlex Authors 0 Author list not loaded yet. Cited by 3 stored of 131 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 Fundamentals of energy storage from first principles simulations: Challenges and opportunities 2023 Frontiers in Energy Research article Physics and Astronomy Advanced Chemical Physics Studies Open access 8 citations Pyrochlore Compounds From Atomistic Simulations 2021 Frontiers in Chemistry article Materials Science Nuclear materials and radiation effects Open access 14 citations Electrode and Electrolyte Materials From Atomistic Simulations: Properties of LixFEPO4 Electrode and Zircon-Based Ionic Conductors 2021 Frontiers in Energy Research article Engineering Advancements in Battery Materials Open access 11 citations 3 results References 0