Citation Impact
Citing Papers
Field theory of fluctuations in glasses
2011 StandoutNobel
Review of bioactive glass: From Hench to hybrids
2012 Standout
Computational Requirements for Simulating the Structures and Proton Activity of Silicaceous Materials
2007
Quantum‐mechanical condensed matter simulations with CRYSTAL
2018 Standout
Porous amorphous carbon models from periodic Gaussian chains of amorphous polymers
2005
The M06 suite of density functionals for main group thermochemistry, thermochemical kinetics, noncovalent interactions, excited states, and transition elements: two new functionals and systematic testing of four M06-class functionals and 12 other functionals
2007 Standout
Computer Simulation of Liquids
2017 Standout
On-the-fly localization of electronic orbitals in Car–Parrinello molecular dynamics
2004
Molecular dynamics scheme for precise estimation of electrostatic interaction via zero-dipole summation principle
2011
Unveiling the predictive power of static structure in glassy systems
2020 StandoutNobel
Ab initiomolecular dynamics: basic concepts, current trends and novel applications
2002
Density Functional Modeling of the Local Structure of Kaolinite Subjected to Thermal Dehydroxylation
2010
Coarse-Graining in Interaction Space: A Systematic Approach for Replacing Long-Range Electrostatics with Short-Range Potentials
2008
Hierarchically porous materials: synthesis strategies and structure design
2016 Standout
Quantitative field theory of the glass transition
2012 StandoutNobel
Advances in understanding alkali-activated materials
2015 Standout
Paradynamics: An Effective and Reliable Model for Ab Initio QM/MM Free-Energy Calculations and Related Tasks
2011 StandoutNobel
Water Stability and Adsorption in Metal–Organic Frameworks
2014 Standout
The Structure of Bioactive Silicate Glasses: New Insight from Molecular Dynamics Simulations
2006
Atom search optimization and its application to solve a hydrogeologic parameter estimation problem
2018
Ab initiosimulation of photoinduced transformation of small rings in amorphous silica
2005
WIEN2k: An APW+lo program for calculating the properties of solids
2020 Standout
Theory of Simple Glasses: Exact Solutions in Infinite Dimensions
2020 StandoutNobel
Static replica approach to critical correlations in glassy systems
2013 StandoutNobel
Calculation of NMR chemical shifts for extended systems using ultrasoft pseudopotentials
2007
Glass and Jamming Transitions: From Exact Results to Finite-Dimensional Descriptions
2017 StandoutNobel
Artificial hummingbird algorithm: A new bio-inspired optimizer with its engineering applications
2021 Standout
Maximally localized Wannier functions: Theory and applications
2012 Standout
Atomic Description of the Interface between Silica and Alumina in Aluminosilicates through Dynamic Nuclear Polarization Surface-Enhanced NMR Spectroscopy and First-Principles Calculations
2015
Combining density functional theory (DFT) and pair distribution function (PDF) analysis to solve the structure of metastable materials: the case of metakaolin
2010
Circuit QED and engineering charge-based superconducting qubits
2009 StandoutNobel
Recent Developments in the Chemistry of Cubic Polyhedral Oligosilsesquioxanes
2010 Standout
Progress in Ab Initio QM/MM Free-Energy Simulations of Electrostatic Energies in Proteins: Accelerated QM/MM Studies of pKa, Redox Reactions and Solvation Free Energies
2008 StandoutNobel
Theory of Simple Glasses
2019 StandoutNobel
Structural properties of simulated liquid and amorphous aluminium silicates
2007
STRUCTURAL ENVIRONMENT OF Nb5+ IN DRY AND FLUID-RICH (H2O, F) SILICATE GLASSES: A COMBINED XANES AND EXAFS STUDY
2006
Modeling the mechanics of amorphous solids at different length scale and time scale
2011
Recent Developments in the Methods and Applications of the Bond Valence Model
2009 Standout
Host and adsorbate dynamics in silicates with flexible frameworks: Empirical force field simulation of water in silicalite
2010
Spontaneous and induced dynamic fluctuations in glass formers. I. General results and dependence on ensemble and dynamics
2007
Research Development on Sodium-Ion Batteries
2014 Standout
Quantum Mechanical Continuum Solvation Models
2005 Standout
Spontaneous and induced dynamic correlations in glass formers. II. Model calculations and comparison to numerical simulations
2007
Photoelasticity of crystalline and amorphous silica from first principles
2003
Quantum chemical insight on vibration spectra of silica systems
2007
Shear bands as manifestation of a criticality in yielding amorphous solids
2017 StandoutNobel
Geopolymers and Related Alkali-Activated Materials
2014 Standout
Works of Simona Ispas being referenced
Model of silica glass from combined classical and ab initio molecular-dynamics simulations
2000
First-Principles Calculation of 17O, 29Si, and 23Na NMR Spectra of Sodium Silicate Crystals and Glasses
2004
Structural properties of molten silicates fromab initiomolecular-dynamics simulations: Comparison betweenC a O − A l 2 O 3 − S i O 2 SiO 2
2001
Structural properties of glassy and liquid sodium tetrasilicate: comparison between ab initio and classical molecular dynamics simulations
2002
Vibrational properties of a sodium tetrasilicate glass: Ab initio versus classical force fields
2005
Density effects on the structure of irradiated sodium borosilicate glass: A molecular dynamics study
2015
Amorphous silica modeled with truncated and screened Coulomb interactions: A molecular dynamics simulation study
2007