Citation Impact
Citing Papers
High-pressure X-ray photoelectron spectroscopy of palladium model hydrogenation catalysts. Part 2: Hydrogenation of trans-2-pentene on palladium
2005
Formation, chemical evolution and solidification of the dense liquid phase of calcium (bi)carbonate
2024 StandoutNobel
Soft corrugated channel with synergistic exclusive discrimination gating for CO2 recognition in gas mixture
2023 StandoutNobel
Nonequilibrium molecular dynamics via Gauss's principle of least constraint
1983
Flexible high-temperature dielectric materials from polymer nanocomposites
2015 StandoutNature
Chemistry of Soft Porous Crystals: Structural Dynamics and Gas Adsorption Properties
2020 StandoutNobel
GROMACS: Fast, flexible, and free
2005 Standout
Structural basis for oxygen degradation domain selectivity of the HIF prolyl hydroxylases
2016 StandoutNobel
Atomic packing and short-to-medium-range order in metallic glasses
2006 StandoutNature
Athermal nonlinear elastic constants of amorphous solids
2010
Silicon nanowires as efficient thermoelectric materials
2008 StandoutNature
Coherent Diabatic Ion Transport and Separation in a Multizone Trap Array
2012 StandoutNobel
Small is different: energetic, structural, thermal, and mechanical properties of passivated nanocluster assemblies
2003
An Electrochemically and Thermally Switchable Donor–Acceptor [c2]Daisy Chain Rotaxane
2014 StandoutNobel
Scalable molecular dynamics with NAMD
2005 Standout
Uniquantal Release through a Dynamic Fusion Pore Is a Candidate Mechanism of Hair Cell Exocytosis
2014 StandoutNobel
Length Scales at which Classical Elasticity Breaks Down for Various Materials
2007
Torsion angle dynamics for NMR structure calculation with the new program Dyana
1997 StandoutNobel
Fast Optimal Frictionless Atom Cooling in Harmonic Traps: Shortcut to Adiabaticity
2010
The GROMOS software for biomolecular simulation: GROMOS05
2005
Hybrid porous solids: past, present, future
2007 Standout
Electronic structure of small GaAs clusters. II
1992 StandoutNobel
H12Pd28(PtPMe3)(PtPPh3)12(CO)27, a High-Nuclearity Pd28Pt13 Cluster Containing 12 Hydrido Atoms: A Possible Molecular Hydrogen-Storage Model for Palladium Metal
1997
The surface constraint all atom model provides size independent results in calculations of hydration free energies
1998 StandoutNobel
Spectroscopy of Single CdSe Nanocrystallites
1999 StandoutNobel
Monte Carlo Simulations of a Coarse Grain Model for Block Copolymers and Nanocomposites
2008
Transport in Proton Conductors for Fuel-Cell Applications: Simulations, Elementary Reactions, and Phenomenology
2004 Standout
Liquidlike atomic environments act as plasticity carriers in amorphous silicon
2005
X-ray diffraction and H-storage in ultra-small palladium particles
2008
Computer Simulation of Liquids
2017 Standout
Interaction potential forSiO 2
1990
Femtosecond reaction dynamics in the gas-to-liquid transition region: Observation of a three-phase density dependence
1996 StandoutNobel
Nanoalloys: From Theory to Applications of Alloy Clusters and Nanoparticles
2008 Standout
Formation and structure of amorphous carbon char from polymer materials
2008
Ideal crystal stability and pressure-induced phase transition in silicon
1994
Magnetic properties and Pd–H miscibility gap in Ni/Pd composite fine particles
1996
Keeping the shape but changing the charges: A simulation study of urea and its iso-steric analogs
1996 StandoutNobel
RASPA: molecular simulation software for adsorption and diffusion in flexible nanoporous materials
2015 Standout
Mechanical instability in ice I h. A mechanism for pressure-induced amorphization
1992
Molecular-dynamics simulation of amorphous and epitaxial Si film growth on Si(111)
1990
Extensions of the molecular dynamics simulation method. II. Isothermal systems
1983
Invariant molecular-dynamics approach to structural phase transitions
1991
Bonding and disorder in liquid silicon
1989
Structural, bonding, dynamical, and electronic properties of liquid silicon: Anab initiomolecular-dynamics study
1991
Advances in the Development of Novel Cobalt Fischer−Tropsch Catalysts for Synthesis of Long-Chain Hydrocarbons and Clean Fuels
2007 Standout
Preparation and melting of amorphous silicon by molecular-dynamics simulations
1988
Water Stability and Adsorption in Metal–Organic Frameworks
2014 Standout
Lignin Valorization: Improving Lignin Processing in the Biorefinery
2014 StandoutScience
A special purpose computer for molecular dynamics calculations
1990
Molecular dynamics with coupling to an external bath
1984 Standout
Theoretical Metastability of Semiconductor Crystallites in High-Pressure Phases, with Application to β-Tin Structure Silicon
1996 StandoutNobel
Iterative minimization techniques forab initiototal-energy calculations: molecular dynamics and conjugate gradients
1992 Standout
Formation of Glasses from Liquids and Biopolymers
1995 StandoutScience
Complex Hydrides for Hydrogen Storage
2007 Standout
Canonical dynamics: Equilibrium phase-space distributions
1985 Standout
Superionics: crystal structures and conduction processes
2004
Preparation, structure, dynamics, and energetics of amorphous silicon: A molecular-dynamics study
1989
Surface and Thermodynamic Interatomic Force Fields for Silicon Clusters and Bulk Phases
1989
Fluctuation formula for elastic constants
1996
On flexible force fields for metal–organic frameworks: Recent developments and future prospects
2018
Quantum-Confined Stark Effect in Single CdSe Nanocrystallite Quantum Dots
1997 StandoutScienceNobel
A molecular dynamics study of the structure of liquid germanium
1989
Constant pressure molecular dynamics algorithms
1994 Standout
Ab initiomolecular-dynamics simulation of the liquid-metal–amorphous-semiconductor transition in germanium
1994 Standout
Hydrogen-bond kinetics in liquid water
1996 StandoutNature
High-pressure X-ray photoelectron spectroscopy of palladium model hydrogenation catalysts.Part 1: Effect of gas ambient and temperature
2005
Pressure-Induced Structural Transformations in Si Nanocrystals: Surface and Shape Effects
1996 StandoutNobel
Ab initiomolecular dynamics for liquid metals
1993 Standout
Recent Advances in Electrocatalytic Hydrogen Evolution Using Nanoparticles
2019 Standout
Nanotechnological Aspects in Materials for Hydrogen Storage
2005
Sum Rules for the Quasi-Static and Visco-Elastic Response of Disordered Solids at Zero Temperature
2006
Canonical sampling through velocity rescaling
2007 Standout
The Electronic Structure of Liquid Germanium
1988
A unified formulation of the constant temperature molecular dynamics methods
1984 Standout
Three-dimensional orientation measurements of symmetric single chromophores using polarization microscopy
1999 StandoutNatureNobel
Molecular-dynamics simulations of amorphous Si
1990
Inorganic Solid-State Electrolytes for Lithium Batteries: Mechanisms and Properties Governing Ion Conduction
2015 Standout
The relationship between liquid, supercooled and glassy water
1998 StandoutNature
Quantum Mechanical Continuum Solvation Models
2005 Standout
Fast Parallel Algorithms for Short-Range Molecular Dynamics
1995 Standout
Nonlinear molecular dynamics and Monte Carlo algorithms
1992
Characterization of thermal transport in low-dimensional boron nitride nanostructures
2011
Electronic structure of small GaAs clusters
1991 StandoutNobel
Self-Assembly of Colloidal Nanocrystals: From Intricate Structures to Functional Materials
2016 Standout
On the inner workings of Monte Carlo codes
2013
Shear bands as manifestation of a criticality in yielding amorphous solids
2017 StandoutNobel
Photoluminescence Spectroscopy of Single CdSe Nanocrystallite Quantum Dots
1996 StandoutNobel
A smooth particle mesh Ewald method
1995 Standout
Works of John R. Ray being referenced
Calculation of elastic constants using isothermal molecular dynamics
1986
Molecular dynamics equations of motion for systems varying in shape and size
1983
Eight physical systems of thermodynamics, statistical mechanics, and computer simulations
1993
Molecular dynamic calculation of elastic constants of silicon
1986
Fluctuations and thermodynamic properties of anisotropic solids
1982
Pressure-composition isotherms for palladium hydride
1993
Pressure-composition isotherms for nanocrystalline palladium hydride
1994
Nonholonomic Constraints
1966
Direct calculation of fluctuation formulae in the microcanonical ensemble
1981
Monte Carlo simulations in the isoenthalpic-isotension-isobaric ensemble
1992
Unified treatment of adiabatic ensembles
1991
Fourth adiabatic ensemble
1990
Pulsed laser melting of silicon: A molecular dynamics study
1987
Elastic constants and density of states of a molecular-dynamics model of amorphous silicon
1988
Fundamental treatment of molecular-dynamics ensembles
1988
Monte Carlo simulations at constant chemical potential and pressure
1993
Small systems have non-Maxwellian momentum distributions in the microcanonical ensemble
1991
Nonholonomic Constraints and Gauss's Principle of Least Constraint
1972
Microcanonical ensemble Monte Carlo method
1991
Low temperature phase transformation in superionic conductors: A molecular dynamics study of silver sulfide
1989
Statistical ensembles and molecular dynamics studies of anisotropic solids. II
1985
Isothermal molecular-dynamics ensembles
1988
Molecular dynamics calculation of elastic constants for a crystalline system in equilibrium
1985
Phase transformations and polytypism in silver iodide: A molecular-dynamics study
1991
Statistical ensembles and molecular dynamics studies of anisotropic solids
1984
Amorphous-silicon formation by rapid quenching: A molecular-dynamics study
1987
Ermakov systems and quantum-mechanical superposition laws
1981