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M. Grüning · SciRah

Researcher profile · Semantic Scholar

M. Grüning

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M. Grüning — researcher profile on SciRah

h-index: 25
Works: 90
Citations: 3,447

Most-cited papers

yambo: An ab initio tool for excited state calculations
A. Marini, C. Hogan, M. Grüning, D. Varsano
2008Computer Physics Communications1,097 citations Open access
Semantic Scholar
Many-body perturbation theory calculations using the yambo code
D. Sangalli, A. Ferretti, H. Miranda, C. Attaccalite +16 more
2019Journal of Physics: Condensed Matter385 citations Open access
Semantic Scholar
Shape corrections to exchange-correlation potentials by gradient-regulated seamless connection of model potentials for inner and outer region
M. Grüning, O. Gritsenko, S. van Gisbergen, E. Baerends
2001321 citations Open access
Semantic Scholar
Density functionals from many-body perturbation theory: the band gap for semiconductors and insulators.
M. Grüning, A. Marini, Á. Rubio
2006Journal of Chemical Physics147 citations Open access
Semantic Scholar
Exciton-plasmon States in nanoscale materials: breakdown of the Tamm-Dancoff approximation.
M. Grüning, A. Marini, X. Gonze
2008Nano letters (Print)132 citations Open access
Semantic Scholar
Real-time approach to the optical properties of solids and nanostructures: Time-dependent Bethe-Salpeter equation
Claudio Attaccalite, M. Grüning, A. Marini
2011120 citations Open access
Semantic Scholar
On the required shape corrections to the local density and generalized gradient approximations to the Kohn-Sham potentials for molecular response calculations of (hyper)polarizabilities and excitation energies
M. Grüning, O. Gritsenko, S. van Gisbergen, E. Baerends
2002103 citations Open access
Semantic Scholar
Electronic properties of interfaces and defects from many‐body perturbation theory: Recent developments and applications
M. Giantomassi, M. Stankovski, R. Shaltaf, M. Grüning +3 more
201187 citations
Semantic Scholar
Exchange potential from the common energy denominator approximation for the Kohn–Sham Green’s function: Application to (hyper)polarizabilities of molecular chains
M. Grüning, O. Gritsenko, E. Baerends
200272 citations Open access
Semantic Scholar
Performance of Density Functionals for Calculating Barrier Heights of Chemical Reactions Relevant to Astrophysics
S. Andersson, M. Grüning
200470 citations
Semantic Scholar
Nonlinear optics from an ab initio approach by means of the dynamical Berry phase: Application to second- and third-harmonic generation in semiconductors
Claudio Attaccalite, M. Grüning
201364 citations Open access
Semantic Scholar
Comment on "huge excitonic effects in layered hexagonal boron nitride".
L. Wirtz, A. Marini, M. Grüning, C. Attaccalite +2 more
2008Physical Review Letters63 citations Open access
Semantic Scholar
The failure of generalized gradient approximations (GGAs) and meta-GGAs for the two-center three-electron bonds in He-2(+), (H2O)(2)(+), and (NH3)(2)(+)
M. Grüning, O. Gritsenko, S. van Gisbergen, E. Baerends
200161 citations
Semantic Scholar
Effect of ladder diagrams on optical absorption spectra in a quasiparticle self-consistent GW framework
B. Cunningham, M. Grüning, Pooya Azarhoosh, D. Pashov +1 more
201859 citations Open access
Semantic Scholar
Exchange-correlation energy and potential as approximate functionals of occupied and virtual Kohn-Sham orbitals: Application to dissociating H-2
M. Grüning, O. Gritsenko, E. Baerends
200357 citations Open access
Semantic Scholar
Effect of spatial nonlocality on the density functional band gap
M. Grüning, A. Marini, Á. Rubio
200656 citations Open access
Semantic Scholar
Density Functional study of the photoactive yellow protein's chromophore
Alessandro Sergi, M. Grüning, M. Ferrario, F. Buda
200150 citations Open access
Semantic Scholar
Strong second harmonic generation in SiC, ZnO, GaN two-dimensional hexagonal crystals from first-principles many-body calculations.
C. Attaccalite, Alassane Nguer, E. Cannuccia, M. Grüning
2015Physical Chemistry, Chemical Physics - PCCP44 citations Open access
Semantic Scholar
Improved description of chemical barriers with generalized gradient approximations (GGAs) and meta-GGAs
M. Grüning, O. Gritsenko, E. Baerends
200438 citations
Semantic Scholar
Excitonic effects in third harmonic generation: the case of carbon nanotubes and nanoribbons
C. Attaccalite, E. Cannuccia, M. Grüning
201730 citations Open access
Semantic Scholar
Electronic structure of chromium trihalides beyond density functional theory
S. Acharya, D. Pashov, B. Cunningham, A. Rudenko +4 more
2021Physical review B29 citations Open access
Semantic Scholar
Quasiparticle calculations of the electronic properties of ZrO2 and HfO2 polymorphs and their interface with Si
M. Grüning, R. Shaltaf, G. Rignanese
200929 citations Open access
Semantic Scholar
Two-photon absorption in two-dimensional materials: The case of hexagonal boron nitride
C. Attaccalite, M. Grüning, H. Amara, S. Latil +1 more
2018Physical review B28 citations Open access
Semantic Scholar
Optical response and band structure of LiCoO2 including electron-hole interaction effects
Santosh Kumar Radha, W. Lambrecht, B. Cunningham, M. Grüning +2 more
2021Physical review B27 citations Open access
Semantic Scholar
Optical properties of periodic systems within the current-current response framework: pitfalls and remedies
D. Sangalli, Arjan Berger, C. Attaccalite, M. Grüning +1 more
201727 citations Open access
Semantic Scholar
STO and GTO field‐induced polarization functions for H to Kr
D. Chong, M. Grüning, E. Baerends
2003Journal of Computational Chemistry21 citations
Semantic Scholar
Strain‐Induced Decoupling Drives Gold‐Assisted Exfoliation of Large‐Area Monolayer 2D Crystals
Jakob Ziewer, Abyay Ghosh, Michaela Hanušová, Luka Pirker +4 more
2024Advances in Materials20 citations Open access
Semantic Scholar
Dielectrics in a time-dependent electric field: a real-time approach based on density-polarization functional theory
M. Grüning, D. Sangalli, Claudio Attaccalite
201620 citations Open access
Semantic Scholar
Time-dependent density functional theory study of charge transfer in collisions
Guillermo Avendaño-Franco, B. Piraux, M. Grüning, X. Gonze
2012Theoretical Chemistry accounts20 citations
Semantic Scholar
<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mrow><mml:mi>QS</mml:mi><mml:mi>G</mml:mi><mml:mover accent="true"><mml:mi>W</mml:mi><mml:mo>̂</mml:mo></mml:mover></mml:mrow></mml:math> : Quasiparticle self-consistent <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mrow>
B. Cunningham, M. Grüning, D. Pashov, M. van Schilfgaarde
2023Physical review B16 citations Open access
Semantic Scholar
Second-harmonic generation in single-layer monochalcogenides: A response from first-principles real-time simulations
C. Attaccalite, M. Palummo, E. Cannuccia, M. Grüning
2019PHYSICAL REVIEW MATERIALS16 citations Open access
Semantic Scholar
Role of the lattice in the light-induced insulator-to-metal transition in vanadium dioxide
C. Weber, Swagata Acharya, B. Cunningham, M. Grüning +8 more
2019Physical Review Research15 citations Open access
Semantic Scholar
Direct and indirect band gaps in Ge under biaxial tensile strain investigated by photoluminescence and photoreflectance studies
Dzianis Saladukha, M. Clavel, F. Murphy‐Armando, Gabriel Greene-Diniz +3 more
201815 citations Open access
Semantic Scholar
Local-field and excitonic effects in the optical response of α -alumina
A. Marinopoulos, M. Grüning
201115 citations
Semantic Scholar
Erratum: Second harmonic generation in h -BN and MoS 2 monolayers: Role of electron-hole interaction [Phys. Rev. B 89 , 081102(R) (2014)]
M. Grüning, C. Attaccalite
201414 citations Open access
Semantic Scholar
Excitonic effects in optical absorption and electron-energy loss spectra of hexagonal boron nitride
L. Wirtz, A. Marini, M. Grüning, Á. Rubio
200513 citations
Semantic Scholar
Double k-Grid Method for Solving the Bethe-Salpeter Equation via Lanczos Approaches
Ignacio M. Alliati, D. Sangalli, M. Grüning
2021Frontiers in Chemistry11 citations Open access
Semantic Scholar
GW study of pressure-induced topological insulator transition in group-IV tellurides
P. Aguado-Puente, S. Fahy, M. Grüning
202010 citations Open access
Semantic Scholar
Electronic properties of zircon and hafnon from many-body perturbation theory
R. Shaltaf, Tonatiuh Rangel, M. Grüning, X. Gonze +2 more
200910 citations
Semantic Scholar
Projected equations of motion approach to hybrid quantum/classical dynamics in dielectric-metal composites
Ryan J. McMillan, Lorenzo Stella, M. Grüning
20169 citations Open access
Semantic Scholar
Performance of polarisation functionals for linear and nonlinear optical properties of bulk zinc chalcogenides ZnX (X = S, Se, and Te).
M. Grüning, C. Attaccalite
2016Physical Chemistry, Chemical Physics - PCCP9 citations Open access
Semantic Scholar
Engineering the Interfacial Electronic Structure of Epitaxial Ge/AlAs(001) Heterointerfaces via Substitutional Boron Incorporation: The Roles of Doping and Interface Stoichiometry
M. Clavel, Gabriel Greene-Diniz, M. Grüning, K. Henry +3 more
2019ACS Applied Electronic Materials7 citations
Semantic Scholar
Effective Band Structure and Crack Formation Analysis in Pseudomorphic Epitaxial Growth of (InxGa1–x)2O3 Alloys: A First-Principles Study
Mohamed Abdelilah Fadla, M. Grüning, Lorenzo Stella
2024ACS Omega5 citations Open access
Semantic Scholar
Floquet formulation of the dynamical Berry-phase approach to nonlinear optics in extended systems
Ignacio M. Alliati, M. Grüning
2022Electronic Structure4 citations Open access
Semantic Scholar
A real-time approach to frequency-mixing spectroscopies: Application to sum and difference frequency generation in two-dimensional crystals
Mike N. Pionteck, M. Grüning, Simone Sanna, Claudio Attaccalite
2025SciPost Physics2 citations Open access
Semantic Scholar
First-Principles Calculations of Band Offsets at Heterovalent ε - Ge/InxAl1−xAs Interfaces
Gabriel Greene-Diniz, M. Grüning
2018Physical Review Applied2 citations Open access
Semantic Scholar
Shift current in two-dimensional Janus transition-metal Dichalcogenides: The role of excitons
Yuncheng Mao, Ju Zhou, M. Grüning, Claudio Attaccalite
2025PHYSICAL REVIEW MATERIALS1 citations Open access
Semantic Scholar
Thermal conductivity of porous polycrystalline PbTe
Javier F. Troncoso, P. Chudzinski, T. Todorov, P. Aguado-Puente +2 more
20201 citations Open access
Semantic Scholar
Satellite valleys and strained band gap transition of bulk Ge: Impact of pseudopotential approximations on quasiparticle levels
Gabriel Greene-Diniz, J. C. Abreu, M. Grüning
2018Computational materials science1 citations Open access
Semantic Scholar
Nonlinear optics from ab-initio by means of the dynamical Berry-phase
C. Attaccalite, M. Grüning
20131 citations
Semantic Scholar

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