# | Title | Journal | Year | Citations |
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1 | QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials | Journal of Physics Condensed Matter | 2009 | 18,183 |
2 | The SIESTA method forab initioorder-Nmaterials simulation | Journal of Physics Condensed Matter | 2002 | 9,150 |
3 | First-principles simulation: ideas, illustrations and the CASTEP code | Journal of Physics Condensed Matter | 2002 | 8,382 |
4 | Advanced capabilities for materials modelling with Quantum ESPRESSO | Journal of Physics Condensed Matter | 2017 | 4,303 |
5 | A grid-based Bader analysis algorithm without lattice bias | Journal of Physics Condensed Matter | 2009 | 4,245 |
6 | First-principles calculations of the electronic structure and spectra of strongly correlated systems: theLDA+Umethod | Journal of Physics Condensed Matter | 1997 | 3,137 |
7 | Norm-conserving and ultrasoft pseudopotentials for first-row and transition elements | Journal of Physics Condensed Matter | 1994 | 2,947 |
8 | Zinc oxide nanostructures: growth, properties and applications | Journal of Physics Condensed Matter | 2004 | 2,924 |
9 | A second-generation reactive empirical bond order (REBO) potential energy expression for hydrocarbons | Journal of Physics Condensed Matter | 2002 | 2,826 |
10 | Chemical accuracy for the van der Waals density functional | Journal of Physics Condensed Matter | 2010 | 2,222 |
11 | The atomic simulation environment—a Python library for working with atoms | Journal of Physics Condensed Matter | 2017 | 1,933 |
12 | Electrowetting: from basics to applications | Journal of Physics Condensed Matter | 2005 | 1,650 |
13 | Colossal magnetoresistance | Journal of Physics Condensed Matter | 1997 | 1,507 |
14 | Electronic structure calculations with GPAW: a real-space implementation of the projector augmented-wave method | Journal of Physics Condensed Matter | 2010 | 1,451 |
15 | PDFfit2 and PDFgui: computer programs for studying nanostructure in crystals | Journal of Physics Condensed Matter | 2007 | 1,225 |
16 | Surface-enhanced Raman scattering | Journal of Physics Condensed Matter | 1992 | 1,202 |
17 | Low frequency plasmons in thin-wire structures | Journal of Physics Condensed Matter | 1998 | 1,185 |
18 | Surface plasmon resonance in gold nanoparticles: a review | Journal of Physics Condensed Matter | 2017 | 1,184 |
19 | Statics and dynamics of worm-like surfactant micelles | Journal of Physics Condensed Matter | 1990 | 1,086 |
20 | Effects of confinement on material behaviour at the nanometre size scale | Journal of Physics Condensed Matter | 2005 | 981 |
21 | Supercooled and glassy water | Journal of Physics Condensed Matter | 2003 | 956 |
22 | Nanomagnetics | Journal of Physics Condensed Matter | 2003 | 925 |
23 | Pyroelectric properties of Al(In)GaN/GaN hetero- and quantum well structures | Journal of Physics Condensed Matter | 2002 | 864 |
24 | Ab initiorandom structure searching | Journal of Physics Condensed Matter | 2011 | 832 |
25 | Magnetocaloric effect and its relation to shape-memory properties in ferromagnetic Heusler alloys | Journal of Physics Condensed Matter | 2009 | 831 |
26 | Wannier90 as a community code: new features and applications | Journal of Physics Condensed Matter | 2020 | 807 |
27 | Universal features of the equation of state of solids | Journal of Physics Condensed Matter | 1989 | 804 |
28 | Surface-enhanced Raman scattering and biophysics | Journal of Physics Condensed Matter | 2002 | 802 |
29 | Magnetic particle hyperthermia: nanoparticle magnetism and materials development for cancer therapy | Journal of Physics Condensed Matter | 2006 | 779 |
30 | QuantumATK: an integrated platform of electronic and atomic-scale modelling tools | Journal of Physics Condensed Matter | 2020 | 771 |
31 | Magneto-optical conductivity in graphene | Journal of Physics Condensed Matter | 2007 | 768 |
32 | On the nature of surface roughness with application to contact mechanics, sealing, rubber friction and adhesion | Journal of Physics Condensed Matter | 2005 | 748 |
33 | Nanoemulsions: formation, structure, and physical properties | Journal of Physics Condensed Matter | 2006 | 746 |
34 | Heavy-fermion superconductivity in CeCoIn5at 2.3 K | Journal of Physics Condensed Matter | 2001 | 737 |
35 | Reverse Monte Carlo modelling | Journal of Physics Condensed Matter | 2001 | 721 |
36 | The relaxational properties of compositionally disordered ABO3perovskites | Journal of Physics Condensed Matter | 2003 | 704 |
37 | Polar oxide surfaces | Journal of Physics Condensed Matter | 2000 | 675 |
38 | Ab initio calculations of elastic constants and thermodynamic properties of bcc, fcc, and hcp Al crystals under pressure | Journal of Physics Condensed Matter | 2002 | 627 |
39 | The growth and morphology of epitaxial multilayer graphene | Journal of Physics Condensed Matter | 2008 | 622 |
40 | Molecular transport junctions: vibrational effects | Journal of Physics Condensed Matter | 2007 | 618 |
41 | Recent tests of the mode-coupling theory for glassy dynamics | Journal of Physics Condensed Matter | 1999 | 616 |
42 | The Verwey transition - a topical review | Journal of Physics Condensed Matter | 2002 | 616 |
43 | Effects of confinement on freezing and melting | Journal of Physics Condensed Matter | 2006 | 614 |
44 | ELATE: an open-source online application for analysis and visualization of elastic tensors | Journal of Physics Condensed Matter | 2016 | 605 |
45 | A transferable tight-binding potential for carbon | Journal of Physics Condensed Matter | 1992 | 576 |
46 | The single-phase multiferroic oxides: from bulk to thin film | Journal of Physics Condensed Matter | 2005 | 575 |
47 | Heterogeneous dynamics in liquids: fluctuations in space and time | Journal of Physics Condensed Matter | 2002 | 568 |
48 | Fluids adsorbed in narrow pores: phase equilibria and structure | Journal of Physics Condensed Matter | 1990 | 558 |
49 | Sr2RuO4: an electronic analogue of3He? | Journal of Physics Condensed Matter | 1995 | 554 |
50 | Properties of GaN and related compounds studied by means of Raman scattering | Journal of Physics Condensed Matter | 2002 | 554 |