Citation Impact

Citing Papers

VESTA 3 for three-dimensional visualization of crystal, volumetric and morphology data
2011 Standout
Electron-phonon coupling for aromatic molecular crystals: Possible consequences for their superconductivity
1998
Gate Tunable Infrared Phonon Anomalies in Bilayer Graphene
2009 StandoutNobel
Atomic packing and short-to-medium-range order in metallic glasses
2006 StandoutNature
Interactions between Individual Carbon Nanotubes Studied by Rayleigh Scattering Spectroscopy
2006 StandoutNobel
Heterogeneous Catalysis through Microcontact Printing
2008 StandoutNobel
2D Bands and Electron-Phonon Interactions in Polyacene Plastic Transistors
2001
Raman Spectrum of Graphene and Graphene Layers
2006 StandoutNobel
Optical gain in silicon nanocrystals
2000 StandoutNature
Engineering atomic and molecular nanostructures at surfaces
2005 StandoutNature
Triplet Exciton Dissociation in Singlet Exciton Fission Photovoltaics
2012 StandoutNobel
Electronics using hybrid-molecular and mono-molecular devices
2000 StandoutNature
Photoelectron spectroscopy of surface states on semiconductor surfaces
1988
Large scale electronic structure calculations
1992
Recent developments in rare-earth doped materials for optoelectronics
2002
Transport in Proton Conductors for Fuel-Cell Applications:  Simulations, Elementary Reactions, and Phenomenology
2004 Standout
The role of surface stress in reconstruction, epitaxial growth and stabilization of mesoscopic structures
1997
Ab initiomolecular dynamics: Analytically continued energy functionals and insights into iterative solutions
1992
Equilibrium Structures and Finite Temperature Properties of Silicon Microclusters fromab initioMolecular-Dynamics Calculations
1988
Computer Simulation of Liquids
2017 Standout
Theory of adsorption of atoms and molecules on Si(111)-(7 × 7)
1994
Electron–phonon interactions in charged cubic fluorocarbon cluster, (CF)8
2003
Electron–intramolecular-phonon coupling and possible superconductivity in negatively charged coronene and corannulene
2002
Raman Scattering in C60 fullerenes and fullerides
1994
Inverse isotope effects in the superconductivity of acenes: a theoretical study
2001
Epitaxial BiFeO 3 Multiferroic Thin Film Heterostructures
2003 StandoutScience
Charged-phonon absorption in dopedC60
1992
Giant vibrational resonances inA6C60compounds
1992
Anisotropic atomic motions in structural analysis by low energy electron diffraction
1993 StandoutNobel
Nonperturbative evaluation of STM tunneling probabilities fromab initiocalculations
1997
Nanobeam Mechanics: Elasticity, Strength, and Toughness of Nanorods and Nanotubes
1997 StandoutScience
Origin of the Overpotential for Oxygen Reduction at a Fuel-Cell Cathode
2004 Standout
Dimensions of luminescent oxidized and porous silicon structures
1994 StandoutNobel
Projector augmented-wave method
1994 Standout
Molecular dynamics without effective potentials via the Car-Parrinello approach
1990
Crystalline Ropes of Metallic Carbon Nanotubes
1996 StandoutScienceNobel
Nanotube Molecular Wires as Chemical Sensors
2000 StandoutScience
Electron–phonon interactions in the monoanions of fluoroacenes
2003
Structural rigidity and low frequency vibrational modes of long carbon tubules
1993
Efficient iterative schemes forab initiototal-energy calculations using a plane-wave basis set
1996 Standout
Implicit Solvation Models:  Equilibria, Structure, Spectra, and Dynamics
1999 Standout
Conceptual Density Functional Theory
2003 Standout
Effect of intertube coupling on the electronic structure of carbon nanotube ropes
1998
Band Bending in Semiconductors: Chemical and Physical Consequences at Surfaces and Interfaces
2012 Standout
Ammonia chemisorption studies on silicon cluster ions
1991 StandoutNobel
Theoretical Metastability of Semiconductor Crystallites in High-Pressure Phases, with Application to β-Tin Structure Silicon
1996 StandoutNobel
Vibronic interactions and superconductivity in acene anions and cations
2001
Inorganic nanoparticles in porous coordination polymers
2016 StandoutNobel
From ultrasoft pseudopotentials to the projector augmented-wave method
1999 Standout
Soft self-consistent pseudopotentials in a generalized eigenvalue formalism
1990 Standout
Calculation of the vacancy formation energy in aluminium
1989
Iterative minimization techniques forab initiototal-energy calculations: molecular dynamics and conjugate gradients
1992 Standout
Electronic structures of C60, C70 and the fullerides: Photoemission and inverse photoemission studies
1992
Charge-Transfer and Energy-Transfer Processes in π-Conjugated Oligomers and Polymers:  A Molecular Picture
2004 Standout
Continuum approximation to fullerene molecules
1992
Nanoscale Atoms in Solid-State Chemistry
2013 StandoutScienceNobel
Porous silicon: a quantum sponge structure for silicon based optoelectronics
2000
Nanotubes from Carbon
1999 Standout
Electronic-structure calculation for metals by local optimization
1989
Efficiency of algorithms for Kohn-Sham density functional theory
1995
First-principles computation of material properties: the ABINIT software project
2002 Standout
Fast diagonalisation of nonlocal pseudopotential Hamiltonians
1989
Ab initiomulticenter tight-binding model for molecular-dynamics simulations and other applications in covalent systems
1989
Ab initiomolecular-dynamics simulation of the liquid-metal–amorphous-semiconductor transition in germanium
1994 Standout
Electronic Structure of 1 to 2 nm Diameter Silicon Core/Shell Nanocrystals:  Surface Chemistry, Optical Spectra, Charge Transfer, and Doping
2003 StandoutNobel
Accuracy of time-dependent properties in electronic-structure calculations using a fictitious Lagrangian
1989
Steps on surfaces: experiment and theory
1999
Theoretical aspects of the luminescence of porous silicon
1993
Nonlocal pseudopotentials in molecular-dynamical density-functional theory: Application toSiO2
1987
Synthesis of borophenes: Anisotropic, two-dimensional boron polymorphs
2015 StandoutScience
Electrical conductivity of individual carbon nanotubes
1996 StandoutNature
Equilibrium shape of Si
1993
Lanthanide-Based Luminescent Hybrid Materials
2009 Standout
Electronic Structure and Luminescence of 1.1- and 1.4-nm Silicon Nanocrystals:  Oxide Shell versus Hydrogen Passivation
2003 StandoutNobel
Why gold is the noblest of all the metals
1995 StandoutNature
Numerical stabilization of the first-principles molecular-dynamics method for metals
1992
Charge Transport in Organic Semiconductors
2007 Standout
Structure, dynamics and ordering transition of solid C60
1992
Evolutionary method for predicting surface reconstructions with variable stoichiometry
2013
First-principles simulation: ideas, illustrations and the CASTEP code
2002 Standout
Tight-binding models and density-functional theory
1989
Metallic and insulating phases ofLixC60,NaxC60, andRbxC60
1992 StandoutNobel
Quantum Mechanical Continuum Solvation Models
2005 Standout
Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
1996 Standout
Spontaneous assembly of perfectly ordered identical-size nanocluster arrays
2002
Dimer reconstruction and electronic surface states on clean and hydrogenated diamond (100) surfaces
1996
Electron–phonon coupling in negatively charged cubane and octasilacubane
2003
A New Dimension for Coordination Polymers and Metal–Organic Frameworks: Towards Functional Glasses and Liquids
2019 StandoutNobel
Giant vibrations of impurity atoms on a crystal surface
1992
Static conductivity and superconductivity of carbon nanotubes: Relations between tubes and sheets
1995
Resonance Raman scattering from phonon overtones in double-wall carbon nanotubes
2005
Electron–intramolecular–vibration interactions in positively charged phenanthrene-edge-type hydrocarbons
2004
From molecules to solids with the DMol3 approach
2000 Standout
Simultaneous solution of diagonalization and self-consistency problems for transition-metal systems
1989
Theoretical study of high-density phases of covalent semiconductors. I.Ab initiotreatment
1994
The electronic properties of graphene
2009 StandoutNobel
Conjugate gradient minimization of the energy functional: A new method for electronic structure calculation
1989
The Active Site of Methanol Synthesis over Cu/ZnO/Al 2 O 3 Industrial Catalysts
2012 StandoutScience

Works of M. Needels being referenced

Ab initiomolecular dynamics on the Ge(100) surface
1987
Symmetry breaking in the molecular-dynamics method forab initiototal-energy calculations
1988
Electron-phonon coupling and superconductivity in alkali-intercalatedC60solid
1992
Superconductivity in alkali intercalated C60
1992
First-principles analysis of electronic states in silicon nanoscale quantum wires
1993
High-order reconstructions of the Ge(100) surface
1988
Total energy and stress of metal and semiconductor surfaces
1989
Implementation of the Car–Parrinello algorithm for ab initio total energy calculations on a massively parallel computer
1993
Erbium point defects in silicon
1993
Ab initiotheory of the Si(111)-(7×7) surface reconstruction: A challenge for massively parallel computation
1992
Modeling Large Surface Reconstructions on the Connection Machine
1993
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