Citation Impact
Citing Papers
Hydrodynamics of soft active matter
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2001
GROMACS: Fast, flexible, and free
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Galilean-invariant Nosé-Hoover-type thermostats
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Folding of a model three-helix bundle protein: a thermodynamic and kinetic analysis 1 1Edited by A. R. Fersht
1999 StandoutNobel
Viscous properties of isotropic fluids composed of linear molecules: Departure from the classical Navier-Stokes theory in nano-confined geometries
2009
The Amber biomolecular simulation programs
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2015
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
On the origin of the electrostatic barrier for proton transport in aquaporin
2004 StandoutNobel
Simulation approaches to ion channel structure–function relationships
2001
Effect of kinetic and configurational thermostats on calculations of the first normal stress coefficient in nonequilibrium molecular dynamics simulations
2012
Collective Swimming and the Dynamics of Bacterial Turbulence
2008
Critical Drying of Liquids
2016
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
The surface constraint all atom model provides size independent results in calculations of hydration free energies
1998 StandoutNobel
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
Structure and Nanostructure in Ionic Liquids
2015 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
Capillary condensation in non-uniform pores
1994
Calculating Structures and Free Energies of Complex Molecules: Combining Molecular Mechanics and Continuum Models
2000 Standout
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1999 StandoutNobel
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2005
Keeping the shape but changing the charges: A simulation study of urea and its iso-steric analogs
1996 StandoutNobel
Interparticle Coupling Effect on the Surface Plasmon Resonance of Gold Nanoparticles: From Theory to Applications
2007 Standout
A new local density functional for main-group thermochemistry, transition metal bonding, thermochemical kinetics, and noncovalent interactions
2006 Standout
Effects of elongation on the phase behavior of the Gay-Berne fluid
1998
Dynamic Transformation between Covalent Organic Frameworks and Discrete Organic Cages
2020 StandoutNobel
A Combined Experimental–Computational Investigation of Methane Adsorption and Selectivity in a Series of Isoreticular Zeolitic Imidazolate Frameworks
2013 StandoutNobel
Entropic Attraction and Repulsion in Binary Colloids Probed with a Line Optical Tweezer
1999
Reversible multiple time scale molecular dynamics
1992 Standout
A five-site model for liquid water and the reproduction of the density anomaly by rigid, nonpolarizable potential functions
2000 Standout
Extension and generalization of the Gay-Berne potential
1996
Constant pressure molecular dynamics simulation: The Langevin piston method
1995 Standout
The Confinement-Induced Sponge to Lamellar Phase Transition
1999
How Hydrophobic Buckminsterfullerene Affects Surrounding Water Structure
2008 StandoutNobel
A revolution in optical manipulation
2003 StandoutNature
Detailed Hydration Maps of Benzene and Cyclohexane Reveal Distinct Water Structures
2004 StandoutNobel
Motions and Relaxations of Confined Liquids
1991 Science
Density-functional theory for inhomogeneous fluids: Adsorption of binary mixtures
1991
Molecular-Level Mechanical Instabilities and Enhanced Self-Diffusion in Flowing Liquids
1998
Realistic simulation of the activation of voltage-gated ion channels
2012 StandoutNobel
Behavior of Binary Guests in a Porous Coordination Polymer
2012 StandoutNobel
Constant pressure molecular dynamics algorithms
1994 Standout
Dissipative particle dynamics: Bridging the gap between atomistic and mesoscopic simulation
1997 Standout
Hydrogen-bond kinetics in liquid water
1996 StandoutNature
Solvophobic and Solvophilic Effects on the Potential of Mean Force between Two Nanoparticles in Binary Mixtures
2001
Gaussian field model of fluids with an application to polymeric fluids
1993
Effect of the attractive interactions on the phase behavior of the Gay–Berne liquid crystal model
1996
Canonical sampling through velocity rescaling
2007 Standout
Homogeneous non-equilibrium molecular dynamics simulations of viscous flow: techniques and applications
2007
Supercooled liquids and the glass transition
2001 StandoutNature
Phase separation in confined systems
1999 Standout
A reactive potential for hydrocarbons with intermolecular interactions
2000 Standout
The SIESTA method forab initioorder-Nmaterials simulation
2002 Standout
The Gay‐Berne mesogen: a paradigm shift?
2006
Quantum Mechanical Continuum Solvation Models
2005 Standout
Effects of atomic-force-microscope tip characteristics on measurement of solvation-force oscillations
1994
Fast Parallel Algorithms for Short-Range Molecular Dynamics
1995 Standout
Thermostating highly confined fluids
2010
Development of an improved four-site water model for biomolecular simulations: TIP4P-Ew
2004 Standout
Fluids adsorbed in narrow pores: phase equilibria and structure
1990
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
The director and molecular dynamics of the field-induced alignment of a Gay–Berne nematic phase: An isothermal-isobaric nonequilibrium molecular dynamics simulation study
2010
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 Sten Sarman being referenced
Numerical Solution of Transport Equations for Bacterial Chemotaxis: Effect of Discretization of Directional Motion
1996
Heat flow and mass diffusion in binary Lennard-Jones mixtures
1992
Conjugate-pairing rule and thermal-transport coefficients
1992
Response theory of symmetry restricted interactions
1992
A study of anisotropic pair distribution theories for Lennard-Jones fluids in narrow slits. Part II. Pair correlations and solvation forces
1991
Flow properties of liquid crystal phases of the Gay–Berne fluid
1998
Equivalence of thermostatted nonlinear responses
1993
Mutual and self-diffusion in fluids undergoing strong shear
1992
Nonequilibrium molecular dynamics of liquid crystal shear flow
1995
Self-diffusion and heat flow in isotropic and liquid crystal phases of the Gay–Berne fluid
1993
Statistical mechanics of viscous flow in nematic fluids
1993
Self-diffusion of rodlike molecules in strong shear fields
1993
Flow alignment phenomena in liquid crystals studied by molecular dynamics simulation
2009
Evaluation of the viscosities of a liquid crystal model system by shear flow simulation
2009
Molecular Dynamics Simulation of Viscous Flow and Heat Conduction in Liquid Crystals
2011
Heat flow and mass diffusion in binary Lennard-Jones mixtures. II
1992
Pair correlations of non-uniform hard-sphere fluids in narrow slits and the mechanism of oscillatory solvation forces
1991
Comment on: Nonequilibrium molecular dynamics calculation of self-diffusion in a non-Newtonian fluid subject to a Couette strain field
1991
Extremum properties of the Gaussian thermostat
1994
A study of anisotropic pair distribution theories for Lennard-Jones fluids in narrow slits
1990
The influence of the fluid–wall interaction potential on the structure of a simple fluid in a narrow slit
1990
Density Fluctuations of Hard-Sphere Fluids in Narrow Confinement
2016
Microscopic theory of liquid crystal rheology
1995
Molecular dynamics of liquid crystals
1997
Direct measurement of structural forces in a supermolecular fluid
1992
Molecular dynamics simulation of planar elongational flow in a nematic liquid crystal based on the Gay–Berne potential
2014
Molecular dynamics of biaxial nematic liquid crystals
1996
Molecular dynamics of heat flow in nematic liquid crystals
1994
Recent developments in non-Newtonian molecular dynamics
1998
Microstructural and Dynamical Heterogeneities in Ionic Liquids
2020