September 01, 2009 article Open access QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials Journal of Physics Condensed Matter DOI: 10.1088/0953-8984/21/39/395502 Full text (OA) OpenAlex Authors 0 Author list not loaded yet. Cited by 95 stored of 29,397 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 Aligning Storage Benchmark Metrics with Application-Level Performance 2026 conference-paper Computer Science Advanced Data Storage Technologies 0 citations Direct Spectroscopic Evidence of an Atom-Transfer Mechanism during Copper Electrodeposition on Gold 2026 ACS electrochemistry. article Engineering Electrodeposition and Electroless Coatings Open access 0 citations Observing the Spatial and Temporal Evolution of Exciton Wave Functions in Organic Semiconductors 2026 Physical Review X article Physics and Astronomy Laser-Matter Interactions and Applications Open access 0 citations Corresponding orbitals in periodic frozen-density embedding: The case of alkaline-earth subnitrides, Ae 2N, by the example of Ba2N 2026 The Journal of Chemical Physics article Physics and Astronomy Advanced Chemical Physics Studies 0 citations Getting the Manifold Right: The Crucial Role of Orbital Resolution in DFT+ U for Mixed d–f Electron Compounds 2026 Journal of Chemical Theory and Computation article Physics and Astronomy Advanced Chemical Physics Studies Open access 3 citations Simulating charging characteristics of lithium iron phosphate by electro-ionic optimization on a quantum annealer 2025 Physical review. B./Physical review. B article Computer Science Quantum Computing Algorithms and Architecture Open access 1 citations Thermodynamic modelling of the Al–Ni–V system 2025 Calphad article Engineering Thermodynamic and Structural Properties of Metals and Alloys Open access 2 citations Unveiling the interplay of electronic and phononic excitations in laser-induced oxygen activation on Ru(0001) 2025 The Journal of Chemical Physics article Physics and Astronomy Laser-Matter Interactions and Applications 2 citations Shear-resistant topology in the quasi-one-dimensional van der Waals material Bi 4 Br 4 2025 Physical review. B./Physical review. B article Physics and Astronomy Topological Materials and Phenomena Open access 4 citations An Atomic‐Scale View at γ’‐Fe4N as Hydrogen Barrier Material 2025 Advanced Materials Interfaces article Materials Science Hydrogen embrittlement and corrosion behaviors in metals Open access 5 citations Atomate2: modular workflows for materials science 2025 Digital Discovery article Materials Science Machine Learning in Materials Science Open access 43 citations Orbital-based bonding analysis in solids 2025 Chemical Science article Physics and Astronomy Advanced Chemical Physics Studies Open access 28 citations Direct Observation of Fully Spin-Polarized Tunnel Current Between Quantum Spins Using a Single Molecule Sensor 2024 ACS Nano article Engineering Molecular Junctions and Nanostructures Open access 6 citations Bond Confinement‐Dependent Peierls Distortion in Epitaxially Grown Bismuth Films 2024 Advanced Materials article Physics and Astronomy Surface and Thin Film Phenomena Open access 8 citations Optimization of ionic configurations in battery materials by quantum annealing 2024 Physical review. B./Physical review. B article Computer Science Quantum Computing Algorithms and Architecture Open access 5 citations Ab Initio Investigation of Amorphous and Crystalline Arsenic Sesqui‐Chalcogenides: Optical Properties Explained by Metavalent Bonding 2024 physica status solidi (RRL) - Rapid Research Letters article Materials Science Phase-change materials and chalcogenides 3 citations Understanding the Mid-Infrared Spectra of Protic Ionic Liquids by Density Functional Theory 2024 The Journal of Physical Chemistry B article Chemical Engineering Ionic liquids properties and applications Open access 10 citations Structure, Synthetic Pathway, and Properties of Metastable Phosphorus Carbide, P 4 C 3 2024 Inorganic Chemistry article Materials Science Boron and Carbon Nanomaterials Research 1 citations Atomic Insights into the Competitive Edge of Nanosheets Splitting Water 2024 Journal of the American Chemical Society article Energy Electrocatalysts for Energy Conversion Open access 17 citations Atomic insights into the competitive edge of nanosheets splitting water 2024 preprint Energy Electrocatalysts for Energy Conversion Open access 1 citations 1–20 of 95 Page 1 / 5 Next → References 0