Citation Impact
Citing Papers
Mechanical properties of graphene and graphene-based nanocomposites
2017 Standout
LAMMPS - a flexible simulation tool for particle-based materials modeling at the atomic, meso, and continuum scales
2021 Standout
First-Principles Photoemission Spectroscopy and Orbital Tomography in Molecules from Koopmans-Compliant Functionals
2015
Graphene oxide as a chemically tunable platform for optical applications
2010 Standout
Single-Layer Behavior and Its Breakdown in Twisted Graphene Layers
2011 Nobel
Electrical polarization and orbital magnetization: the modern theories
2010
Optical nano-imaging of gate-tunable graphene plasmons
2012 StandoutNature
Density functional theory for transition metals and transition metal chemistry
2009
Raman spectroscopy as a versatile tool for studying the properties of graphene
2013 Standout
Correlated insulator behaviour at half-filling in magic-angle graphene superlattices
2018 StandoutNature
Unraveling the Intrinsic and Robust Nature of van Hove Singularities in Twisted Bilayer Graphene by Scanning Tunneling Microscopy and Theoretical Analysis
2012
Grains and grain boundaries in highly crystalline monolayer molybdenum disulphide
2013 Standout
Accurate Band Gaps of Semiconductors and Insulators with a Semilocal Exchange-Correlation Potential
2009 Standout
Quantum Hall Effect, Screening, and Layer-Polarized Insulating States in Twisted Bilayer Graphene
2012
Engineering the Electronic Structure of Graphene
2012
Superlattice-Induced Insulating States and Valley-Protected Orbits in Twisted Bilayer Graphene
2016
Tailoring the Electronic Structure in Bilayer Molybdenum Disulfide via Interlayer Twist
2014
Raman Spectroscopy Study of Rotated Double-Layer Graphene: Misorientation-Angle Dependence of Electronic Structure
2012
Phonon-induced diamagnetic force and its effect on the lattice thermal conductivity
2015
Unconventional superconductivity in magic-angle graphene superlattices
2018 StandoutNature
Twinning and Twisting of Tri- and Bilayer Graphene
2012
Discovery of intrinsic ferromagnetism in two-dimensional van der Waals crystals
2017 StandoutNature
A roadmap for graphene
2012 StandoutNatureNobel
Reversible Loss of Bernal Stacking during the Deformation of Few-Layer Graphene in Nanocomposites
2013 Nobel
Surface morphology-induced spin-crossover-inactive high-spin state in a coordination framework
2021 StandoutNobel
Energy landscape and band-structure tuning in realisticMoS 2 / MoSe 2
2015
Quantum‐mechanical condensed matter simulations with CRYSTAL
2018 Standout
First-principles calculations for point defects in solids
2014 Standout
Lattice relaxation and energy band modulation in twisted bilayer graphene
2017
Optical absorption in twisted bilayer graphene
2013
Van der Waals heterostructures and devices
2016 Standout
Ab initioconverse NMR approach for pseudopotentials
2010
Mechanism of Methanol Synthesis on Cu through CO2and CO Hydrogenation
2011 Standout
Quasiparticle Band Gap Engineering of Graphene and Graphone on Hexagonal Boron Nitride Substrate
2011
Configurational thermodynamics of alloys from first principles: effective cluster interactions
2008
Massively parallel symplectic algorithm for coupled magnetic spin dynamics and molecular dynamics
2018
Status and perspectives of CO2 conversion into fuels and chemicals by catalytic, photocatalytic and electrocatalytic processes
2013 Standout
Graphene photonics and optoelectronics
2010 Standout
Moiré butterflies in twisted bilayer graphene
2011
Functionalization of Graphene: Covalent and Non-Covalent Approaches, Derivatives and Applications
2012 Standout
Graphene Photonics, Plasmonics, and Broadband Optoelectronic Devices
2012 Standout
Rescaled Monte Carlo approach for magnetic systems:Ab initiothermodynamics of bcc iron
2010
First-principles study of binary bcc alloys using special quasirandom structures
2004
Field-Effect Tunneling Transistor Based on Vertical Graphene Heterostructures
2012 StandoutScienceNobel
Challenges for Density Functional Theory
2011 Standout
Multicomponent magneto-optical conductivity of multilayer graphene on SiC
2011
First-principles study of constitutional point defects in B2 NiAl using special quasirandom structures
2005
Advanced Thermoelectric Design: From Materials and Structures to Devices
2020 Standout
Molecular-Scale Electronics: From Concept to Function
2016 Standout
Efficient stochastic generation of special quasirandom structures
2013 Standout
Probing the shear and layer breathing modes in multilayer graphene by Raman spectroscopy
2017
Wannier-based calculation of the orbital magnetization in crystals
2012
Multicomponent multisublattice alloys, nonconfigurational entropy and other additions to the Alloy Theoretic Automated Toolkit
2009 Standout
Graphene-Like Two-Dimensional Materials
2013 Standout
Large-scale simulation of the spin-lattice dynamics in ferromagnetic iron
2008
Raman spectroscopy of graphene-based materials and its applications in related devices
2018 Standout
Exchange interactions and Curie temperatures inNi 2 − x Mn Sb
2006
Valleytronics in 2D materials
2016 Standout
Structural materials for fission & fusion energy
2009 Standout
Novel Electronic and Magnetic Properties of Two‐Dimensional Transition Metal Carbides and Nitrides
2012 Standout
Coupling in nanolaminated ternary carbides studied by theoretical means: The influence of electronic potential approximations
2006
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
2010 Standout
First-principles calculations of the structural and thermodynamic properties of bcc, fcc and hcp solid solutions in the Al–TM (TM=Ti, Zr and Hf) systems: A comparison of cluster expansion and supercell methods
2008
First-principles study of ternary bcc alloys using special quasi-random structures
2009
Numerical studies of confined states in rotated bilayers of graphene
2012
A consistent and accurateab initioparametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu
2010 Standout
Maximally localized Wannier functions: Theory and applications
2012 Standout
Electronic properties of twisted trilayer graphene
2013
Magnetism in ultrathin film structures
2008
How far do electrons delocalize?
2014
Advances in thermoelectric materials research: Looking back and moving forward
2017 StandoutScience
Tunable moiré bands and strong correlations in small-twist-angle bilayer graphene
2017
Identification of Highly Active Fe Sites in (Ni,Fe)OOH for Electrocatalytic Water Splitting
2015 Standout
Moiré bands in twisted double-layer graphene
2011 Standout
Half-metallic ferromagnets: From band structure to many-body effects
2008 Standout
Enhancement of Exciton–Phonon Scattering from Monolayer to Bilayer WS2
2018 StandoutNobel
A comprehensive electron wavefunction analysis toolbox for chemists, Multiwfn
2024 Standout
Excitation Energy Dependent Raman Signatures of ABA- and ABC-stacked Few-layer Graphene
2014
Continuum model of the twisted graphene bilayer
2012
Ultralow-Power Cryogenic Thermometry Based on Optical-Transition Broadening of a Two-Level System in Diamond
2023 StandoutNobel
High-performance transition metal–doped Pt 3 Ni octahedra for oxygen reduction reaction
2015 StandoutScience
Orbital-dependent density functionals: Theory and applications
2008
Microstructures and properties of high-entropy alloys
2013 Standout
Comment on “Weyl fermions and the anomalous Hall effect in metallic ferromagnets”
2014 StandoutNobel
Emerging trends in spin crossover (SCO) based functional materials and devices
2017
Raman bands of twisted bilayer graphene
2017
Heteroatom-doped graphene materials: syntheses, properties and applications
2014 Standout
Additive manufacturing (3D printing): A review of materials, methods, applications and challenges
2018 Standout
First-principles theory of orbital magnetization
2010
Flat bands in slightly twisted bilayer graphene: Tight-binding calculations
2010
Commensuration and interlayer coherence in twisted bilayer graphene
2010
First-Principles Calculations and CALPHAD Modeling of Thermodynamics
2009
Temperature and particle-size dependence of the equilibrium order parameter of FePt alloys
2005
Atomic‐Layer Graphene as a Saturable Absorber for Ultrafast Pulsed Lasers
2009 Standout
Hubbard-corrected DFT energy functionals: The LDA+U description of correlated systems
2013
Energy spectrum and quantum Hall effect in twisted bilayer graphene
2012
Transport between twisted graphene layers
2010
Graphene plasmonics
2012 StandoutNobel
Thermodynamic modeling of the Ba–Ni–Ti system
2006
Works of S. Shallcross being referenced
Spectral Density and Metal-Insulator Phase Transition in Mott Insulators within Reduced Density Matrix Functional Theory
2013
First-Principles Approach to Noncollinear Magnetism: Towards Spin Dynamics
2007
Quantum Interference at the Twist Boundary in Graphene
2008
Electronic structure of graphene twist stacks
2011
Comparison of exact-exchange calculations for solids in current-spin-density- and spin-density-functional theory
2007
Emergent momentum scale, localization, and van Hove singularities in the graphene twist bilayer
2013
Thermodynamics of ordered and disordered phases in the binary Mo-Ru system
2007
Local lattice relaxations in random metallic alloys: Effective tetrahedron model and supercell approach
2003
A critical test of ab initio and CALPHAD methods: The structural energy difference between bcc and hcp molybdenum
2005
Anab initioeffective Hamiltonian for magnetism including longitudinal spin fluctuations
2005
Twist boundary in graphene: energetics and electric field effect
2008
Spin-Crossover and Massive Anisotropy Switching of 5d Transition Metal Atoms on Graphene Nanoflakes
2014
Atomic and magnetic configurational energetics by the generalized perturbation method
2004
Electronic structure of turbostratic graphene
2010