Citation Impact
Citing Papers
GROMACS: Fast, flexible, and free
2005 Standout
Atomic packing and short-to-medium-range order in metallic glasses
2006 StandoutNature
Isotropic-nematic interface in suspensions of hard rods: Mean-field properties and capillary waves
2006
Coupling of bending and stretching deformations in vesicle membranes
2014
Conformations and Effective Interactions of Polymer-Coated Nanoparticles at Liquid Interfaces
2014
Folding of a model three-helix bundle protein: a thermodynamic and kinetic analysis 1 1Edited by A. R. Fersht
1999 StandoutNobel
Loading of Vesicles into Soft Amphiphilic Nanotubes using Osmosis
2015 StandoutNobel
Jamming Criticality Revealed by Removing Localized Buckling Excitations
2015 StandoutNobel
The Amber biomolecular simulation programs
2005 Standout
Molecular-dynamics study of the nematic-isotropic interface
2001
Universal Microstructure and Mechanical Stability of Jammed Packings
2012 StandoutNobel
Hard-sphere crystallization gets rarer with increasing dimension
2009
Intrinsic profiles and the structure of liquid surfaces
2012
Scalable molecular dynamics with NAMD
2005 Standout
Selective gas adsorption and separation in metal–organic frameworks
2009 Standout
Efficient computation of three-dimensional protein structures in solution from nuclear magnetic resonance data using the program DIANA and the supporting programs CALIBA, HABAS and GLOMSA
1991 StandoutNobel
Uniquantal Release through a Dynamic Fusion Pore Is a Candidate Mechanism of Hair Cell Exocytosis
2014 StandoutNobel
Interpretation of Fluctuation Spectra in Lipid Bilayer Simulations
2011
Adsorption — from theory to practice
2001 Standout
Description of the Fluctuating Colloid-Polymer Interface
2008
Effective Hamiltonian for liquid-vapor interfaces
1999
Protein–Protein Docking with Simultaneous Optimization of Rigid-body Displacement and Side-chain Conformations
2003 StandoutNobel
Torsion angle dynamics for NMR structure calculation with the new program Dyana
1997 StandoutNobel
Glass Transition and Random Close Packing above Three Dimensions
2011 StandoutNobel
The surface constraint all atom model provides size independent results in calculations of hydration free energies
1998 StandoutNobel
Density functional approximation for hard-body liquid crystals
1989
Molecular dynamics calculation of elastic constants in Gay–Berne nematic liquid crystals
1996
Transport in Proton Conductors for Fuel-Cell Applications: Simulations, Elementary Reactions, and Phenomenology
2004 Standout
Computer Simulation of Liquids
2017 Standout
Femtosecond reaction dynamics in the gas-to-liquid transition region: Observation of a three-phase density dependence
1996 StandoutNobel
Calculating Structures and Free Energies of Complex Molecules: Combining Molecular Mechanics and Continuum Models
2000 Standout
Tailored Porous Materials
1999 StandoutNobel
Keeping the shape but changing the charges: A simulation study of urea and its iso-steric analogs
1996 StandoutNobel
Liquid-liquid interfacial properties of a symmetrical Lennard-Jones binary mixture
2015
A new local density functional for main-group thermochemistry, transition metal bonding, thermochemical kinetics, and noncovalent interactions
2006 Standout
Profile unbiased thermostat with dynamical streaming velocities
1996
Monte Carlo intrinsic surfaces and density profiles for liquid surfaces
2004
Reversible multiple time scale molecular dynamics
1992 Standout
Molecular-Scale Electronics: From Concept to Function
2016 Standout
A five-site model for liquid water and the reproduction of the density anomaly by rigid, nonpolarizable potential functions
2000 Standout
Computer simulations of liquid/vapor interface in Lennard-Jones fluids: Some questions and answers
1999
Design and evaluation of switchable-hydrophilicity solvents
2013
IR Absorption, Raman Scattering, and IR-Vis Sum-Frequency Generation Spectroscopy as Quantitative Probes of Surface Structure
2014
Dimensional study of the caging order parameter at the glass transition
2012 StandoutNobel
Theoretical foundations of physical adsorption from binary non-electrolytic liquid mixtures on solid surfaces: present and future
1987
Constant pressure molecular dynamics simulation: The Langevin piston method
1995 Standout
Elastic constants and dynamics in nematic liquid crystals
2015
How Hydrophobic Buckminsterfullerene Affects Surrounding Water Structure
2008 StandoutNobel
Insights into the modeling of adsorption isotherm systems
2009 Standout
Detailed Hydration Maps of Benzene and Cyclohexane Reveal Distinct Water Structures
2004 StandoutNobel
Monte Carlo calculations of the number of ways to pack nonoverlapping rods on a square lattice
1978
Constant pressure molecular dynamics algorithms
1994 Standout
Green and Sustainable Solvents in Chemical Processes
2018 Standout
Polymer/layered silicate nanocomposites: a review from preparation to processing
2003 Standout
Molecular dynamics simulation of the water|nitrobenzene interface
1998
Dissipative particle dynamics: Bridging the gap between atomistic and mesoscopic simulation
1997 Standout
Experimental Evidence for Surface Roughening in Two Dimensions
1985
Hydrogen-bond kinetics in liquid water
1996 StandoutNature
Scanning tunneling microscopy of the local atomic structure of two-dimensional gold and silver islands on graphite
1988 StandoutNobel
Chemical Reactions and Solvation at Liquid Interfaces: A Microscopic Perspective
1996
Canonical sampling through velocity rescaling
2007 Standout
A lattice model for self-avoiding polymers with controlled length distributions. II. Corrections to Flory–Huggins mean field
1986 StandoutNobel
Statistical mechanics of the packing of rods on a lattice: Cluster expansion for systematic corrections to mean field
1986 StandoutNobel
A reactive potential for hydrocarbons with intermolecular interactions
2000 Standout
The SIESTA method forab initioorder-Nmaterials simulation
2002 Standout
Quantum Mechanical Continuum Solvation Models
2005 Standout
Fast Parallel Algorithms for Short-Range Molecular Dynamics
1995 Standout
Contact Angles of Lennard-Jones Liquids and Droplets on Planar Surfaces
2007
Progress in computer simulations of liquid crystals
2005
Calibration and Testing of a Water Model for Simulation of the Molecular Dynamics of Proteins and Nucleic Acids in Solution
1997 StandoutNobel
Self-Assembly of Colloidal Nanocrystals: From Intricate Structures to Functional Materials
2016 Standout
COMPASS: An ab Initio Force-Field Optimized for Condensed-Phase ApplicationsOverview with Details on Alkane and Benzene Compounds
1998 Standout
Simulating the Effect of DNA Polymerase Mutations on Transition-State Energetics and Fidelity: Evaluating Amino Acid Group Contribution and Allosteric Coupling for Ionized Residues in Human Pol β
2006 StandoutNobel
A smooth particle mesh Ewald method
1995 Standout
Works of J. Stecki being referenced
Contribution of capillary waves to the interfacial correlation function
1998
The liquid–liquid interface of simple liquids
1995
Correlations in the liquid interfaces of simple liquids
1995
Molecular dynamics of interfaces in opposing fields
2001
Density profiles at a planar liquid-liquid interface
1995
Surface tension and adsorption of regular solutions on the solid-liquid and vapour-liquid interface
1970
Nematic ordering in the lattice model with attractive isotropic interaction
1977
Statistical theory of the elastic constants of nematic liquid crystals
1979
Roughening transition at the wall in narrow two-dimensional strips of the lattice-gas (Ising) model
1982
A molecular model for the smecticAphase
1985
Fourth virial coefficient for a hard-sphere gas interacting with a hard wall
1978
Size dependence, stability, and the transition to buckling in model reverse bilayers
2006
Total and direct correlations in the liquid–vapor interface and the capillary-wave theory
1997
Shear flow at liquid–liquid interfaces
1995
Extended capillary wave theory and the ellipsometric coefficient
1998
Correlations in simulated model bilayers
2004
Steele (10-4-3) Potential due to a Solid Wall
1997
Vapour pressures and thermodynamic properties of hexan-1-ol + n-hexane between 298.230 and 342.824 K
1978