October 15, 1996 article Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set Physical review. B, Condensed matter DOI: 10.1103/physrevb.54.11169 OpenAlex Authors 0 Author list not loaded yet. Cited by 378 stored of 124,088 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 Structural Stability, Bonding, and Magnetism in the TiMOs 2 B 2 Series (M = Cr–Ni): Insights into Frustration, High- T C Ferromagnetism, and Off-Stoichiometry 2026 Inorganic Chemistry article Physics and Astronomy Advanced Condensed Matter Physics 0 citations Grain boundary complexions stabilize Mg3Sb2-based thermoelectric devices with superior performance 2026 Joule article Materials Science Advanced Thermoelectric Materials and Devices Open access 3 citations Mechanism and mitigation of stainless steel dissolution in LiFSI-based lithium-ion battery electrolytes 2026 Nature Communications article Engineering Advanced Battery Materials and Technologies Open access 2 citations Impact of O concentration on the thermal stability and decomposition mechanism of (Cr,Al)N compared to (Ti,Al)N thin films 2026 Acta Materialia article Engineering Metal and Thin Film Mechanics Open access 0 citations Near‐Atomic Investigation on the Elemental Redistribution During Coprecipitation of Nano‐Sized Kappa‐Type and B2 Precipitates in an Al‐Alloyed Lightweight Steel 2026 steel research international article Engineering Microstructure and Mechanical Properties of Steels Open access 0 citations Active learning-driven multi-objective design of high-entropy alloy catalysts for saline water electrolysis 2026 Chemical Engineering Journal article Energy Electrocatalysts for Energy Conversion 3 citations Revealing the Hidden Role of Cd in p‐Type Mg 3 Sb 2 : Enhanced Thermoelectric Performance by Grain Boundary Segregation Engineering 2026 Advanced Functional Materials article Materials Science Advanced Thermoelectric Materials and Devices Open access 4 citations Cation-Tuned Reaction Mechanisms in Metal Dicyanamide Anodes for Lithium-Ion Batteries with High Reversible Capacity 2026 ACS Nano article Engineering Advancements in Battery Materials 2 citations High-performance, high-entropy perovskite cathodes for low-temperature solid-oxide fuel cells 2026 Applied Catalysis B: Environmental article Materials Science Advancements in Solid Oxide Fuel Cells Open access 6 citations A comprehensive model for the electric double layer of stepped platinum electrodes 2026 Nature Chemistry article Energy Electrocatalysts for Energy Conversion Open access 11 citations Enhanced strength and plasticity with high thermoelectric performance in Mg3(Sb, Bi)2 by microstructure design 2026 Materials Today article Materials Science Advanced Thermoelectric Materials and Devices Open access 11 citations Stabilization of Fully Deprotonated Melaminate Anions (C 3 N 6 ) 6– in M 3 (C 3 N 6 ) (M = Cd, Ca) 2026 Journal of the American Chemical Society article Chemistry Inorganic Chemistry and Materials Open access 2 citations The accuracy of carbon-13 NMR magnetic-shielding tensors calculated using periodic DFT: a case study on the distinction of crystalline serine phases 2026 Physical Chemistry Chemical Physics article Chemistry Advanced NMR Techniques and Applications Open access 1 citations In Situ Reflectance Spectroscopy for State-of-Lithiation Mapping of Porous Silicon Anodes 2026 SSRN Electronic Journal preprint Engineering Advancements in Battery Materials Open access 0 citations Doping bi-layer graphene – trends in the periodic table 2026 Materials Advances article Materials Science Graphene research and applications Open access 0 citations Plasma-assisted CH 4 activation on Cu/CeO 2 catalysts: insights into the effect of catalyst surface and vibrational excitation 2026 Physical Chemistry Chemical Physics article Medicine Plasma Applications and Diagnostics Open access 2 citations Possible Peierls Distortion Through Re 2 Dimer Formation in the LaNiO 2 ‐Type Nitrides Ln ReN 2 ( Ln = Pr, Nd) 2025 Angewandte Chemie International Edition article Chemistry Inorganic Chemistry and Materials Open access 1 citations Mögliche Peierls‐Verzerrung durch die Bildung von Re 2 ‐Dimeren in den LaNiO 2 ‐Typ Nitriden Ln ReN 2 ( Ln = Pr, Nd) 2025 Angewandte Chemie article Chemistry Inorganic Chemistry and Materials Open access 0 citations First-Principles Investigation of Janus Penta-PdXY (X = S, Se, Te; 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