Author Publications

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Number of items: 116.

2013

Arntz, M.M.H.D. and Otter, W.K. den and Beeftink, H.H. and Boom, R.M. and Briels, W.J. (2013) The influence of end walls on the segregation pattern in a horizontal rotating drum. Granular matter, 15 (1). 25 - 38. ISSN 1434-5021

Liu, L. and Padding, J.T and Otter, W.K. den and Briels, W.J. (2013) Coarse-grained simulations of moderately entangled star polyethylene melts. Journal of chemical physics, 138 (24). 244912 - 244921. ISSN 0021-9606

Santos de Oliveira, I.S. and Otter, W.K. den and Briels, W.J. (2013) Alignment and segregation of bidisperse colloids in a shear-thinning viscoelastic fluid under shear flow. EPL = Europhysics letters, 101 (2). 28002-p1 - 28002-p6. ISSN 0295-5075

Savin, T. and Briels, W.J. and Öttinger, H.C. (2013) Thermodynamic formulation of flowing soft matter with transient forces. Rheologica acta, 52 (1). 23 - 32. ISSN 0035-4511

Schneider, G. and Nusser, K. and Neueder, S. and Brodeck, M. and Willner, L. and Farago, B. and Holderer, O. and Briels, W.J. and Richter, D. (2013) Anomalous chain diffusion in unentangled model polymer nanocomposites. Soft matter, 9 (16). 4336 - 4348. ISSN 1744-683X

2012

Beer, S.J.A. de and Otter, W.K. den and Ende, H.T.M. van den and Briels, W.J. and Mugele, F. (2012) Can confinement-induced variations in the viscous dissipation be measured? Tribology letters, 48 (1). 1 - 9. ISSN 1023-8883

Beer, S.J.A. de and Otter, W.K. den and Ende, H.T.M. van den and Briels, W.J. and Mugele, F. (2012) Non-monotonic variation of viscous dissipation in confined liquid films: A reconciliation. EPL = Europhysics letters, 97 (4). 46001/1 - 46001/6. ISSN 0295-5075

Padding, J.T. and Mohite, L.V. and Auhl, D. and Schweizer, T. and Briels, W.J. and Bailly, C. (2012) Quantitative mesoscale modeling of the oscillatory and transient shear rheology and the extensional rheology of pressure sensitive adhesives. Soft matter, 8 . 7967 - 7981. ISSN 1744-683X

Santos de Oliveira, I.S. and Otter, W.K. den and Briels, W.J. (2012) The origin of flow-induced alignment of spherical colloids in shear-thinning viscoelastic fluids. Journal of chemical physics, 137 . 204908/1 - 204908/9. ISSN 0021-9606

2011

Briels, W.J. and Vlassopoulos, D. and Kang, Kyongok and Dhont, Jan K.G. (2011) Constitutive equations for the flow behavior of entangled polymeric systems: Application to star polymers. Journal of Chemical Physics, 134 (12). p. 124901. ISSN 0021-9606

Otter, Wouter K. den and Briels, Wim J. (2011)
The Generation of Curved Clathrin Coats from Flat Plaques.
Traffic, 12 (10). pp. 1407-1416. ISSN 1398-9219

Santos de Oliveira, I.S. and Noort, A. van den and Padding, J.T. and Otter, W.K. den and Briels, W.J. (2011) Alignment of particles in sheared viscoelastic fluids. Journal of Chemical Physics, 135 (10). p. 104902. ISSN 0021-9606

2010

Arntz, M.M.H.D. and Otter, W.K. den and Beeftink, H.H. and Boom, R.M. and Briels, W.J. (2010) Repeated segregation and energy dissipation in an axially segregated granular bed. EPL: a Letters Journal Exploring the Frontiers of Physics, 92 . 54004 - . ISSN 0295-5075

Otter, Wouter K. den and Renes, Marten R. and Briels, W.J. (2010) Self-assembly of three-legged patchy particles into polyhedral cages. Journal of Physics: Condensed matter, 22 (10). p. 104103. ISSN 0953-8984

Otter, Wouter K. den and Renes, Marten R. and Briels, Wim J. (2010) Asymmetry as the Key to Clathrin Cage Assembly. Biophysical Journal, 99 (4). pp. 1231-1238. ISSN 0006-3495

2009

Tao, Y.-G. and Otter, W.K. den and Briels, W.J. (2009) Kayaking and wagging of liquid crystals under shear: Comparing director and mesogen motions. EPL = Europhysics letters, 86 (5). p. 56005. ISSN 0295-5075

2008

Arntz, M.M.H.D. and Otter, W.K. den and Briels, W.J. and Bussmann, P.J.T. and Beeftink, H.H. and Boom, R.M. (2008) Granular mixing and segregation in a horizontal rotating drum: a simulation study on the impact of rotational speed and fill level. AIChE Journal, 54 (12). pp. 3133-3146. ISSN 0001-1541

Dhont, J.K.G. and Briels, W.J. (2008) Single-particle thermal diffusion of charged colloids: Double-layer theory in a temperature gradient. European Physical Journal E: Soft Matter and Biological Physics, 25 (1). pp. 61-76. ISSN 1292-8941

Dhont, Jan K.G. and Briels, Wim J. (2008) Gradient and vorticity banding. Rheologica acta, 47 (3). pp. 1435-1528. ISSN 0035-4511

Kindt, P. and Briels, W.J. (2008) The role of entanglements on the stability of microphase separated diblock copolymers in shear flow. Journal of Chemical Physics, 128 (12). p. 124901. ISSN 0021-9606

Noort, A. van den and Briels, W.J. (2008) Brownian dynamics simulations of concentration coupled shear banding. Journal of Non-Newtonian Fluid Mechanics, 152 (1-3). pp. 148-155. ISSN 0377-0257

Notman, Rebecca and Anwar, Jamshed and Briels, W.J. and Noro, Massimo G. and Otter, Wouter K. den (2008) Simulations of Skin Barrier Function: Free Energies of Hydrophobic and Hydrophilic Transmembrane Pores in Ceramide Bilayers. Biophysical Journal, 95 (10). pp. 4763-4771. ISSN 0006-3495

Otter, W.K. den and Notman, R. and Anwar, J. and Noro, M.G. and Briels, W.J. (2008) Modulating the skin barrier function by DMSO: molecular dynamics simulations of hydrophilic and hydrophobic transmembrane pores. Chemistry and Physics of Lipids, 154 (S1). S2-S3. ISSN 0009-3084

Padding, J.T. and Boek, E.S. and Briels, W.J. (2008) Dynamics and rheology of wormlike micelles emerging from particulate computer simulations. Journal of Chemical Physics, 129 (7). 074903. ISSN 0021-9606

Stukan, Mikhail R. and Boek, Edo S. and Padding, Johan T. and Briels, Wim J. and Crawshaw, John P. (2008) Flow of wormlike micelles in an expansion-contraction geometry. Soft Matter, 4 (4). pp. 870-879. ISSN 1744-683X

Thakre, Amol K. and Otter, W.K. den and Padding, J.T. and Briels, W.J. (2008) Spinodal decomposition of asymmetric binary fluids in a micro-Couette geometry simulated with molecular dynamics. Journal of Chemical Physics, 129 (7). 074505. ISSN 0021-9606

Thakre, Amol K. and Padding, J.T. and Otter, W.K. den and Briels, W.J. (2008) Molecular dynamics simulation of phase separating binary liquids in cylindrical Couette flow. Journal of Chemical Physics, 128 (15). p. 154707. ISSN 0021-9606

Thakre, Amol K. and Otter, W.K. den and Briels, W.J. (2008) Domain formation and growth in spinodal decomposition of a binary fluid by molecular dynamics simulations. Physical Review E: Statistical, nonlinear, and soft matter physics, 77 (1). 011503. ISSN 1539-3755

Thakre, Amol K. and Padding, J.T. and Otter, W.K. den and Briels, W.J. (2008) Finite system size effects in the interfacial dynamics of binary liquid films. Journal of Chemical Physics, 129 (4). 044701. ISSN 0021-9606

2007

Boek, E.S. and Padding, J.T. and Anderson, V.J. and Briels, W.J. and Crawshaw, J.P. (2007) Flow of entangled wormlike micellar fluids: Mesoscopic simulations, rheology and µ-PIV experiments. Journal of Non-Newtonian Fluid Mechanics, 146 (1-3). pp. 11-21. ISSN 0377-0257

Kindt, P. and Briels, W.J. (2007) A single particle model to simulate the dynamics of entangled polymer melts. Journal of Chemical Physics, 127 (13). p. 134901. ISSN 0021-9606

Noort, A. van den and Briels, W.J. (2007) Coarse-Grained Simulations of Elongational Viscosities, Superposition Rheology and Shear Banding in Model Core-Shell Systems. Macromolecular Theory and Simulations, 16 (8). pp. 742-754. ISSN 1022-1344

Noort, A. van den and Otter, W.K. den and Briels, W.J. (2007) Coarse graining of slow variables in dynamic simulations of soft matter. Europhysics Letters, 80 (2). 28003-1-28003-5. ISSN 0295-5075

Notman, Rebecca and Otter, Wouter K. den and Noro, Massimo G. and Briels, W.J. and Anwar, Jamshed (2007) The Permeability Enhancing Mechanism of DMSO in Ceramide Bilayers Simulated by Molecular Dynamics. Biophysical Journal, 93 (6). pp. 2056-2068. ISSN 0006-3495

2006

Shkulipa, S.A. and Otter, W.K. den and Briels, W.J. (2006) Thermal Undulations of Lipid Bilayers Relax by Intermonolayer Friction at Submicrometer Length Scales. Physical Review Letters, 96 (17). p. 178302. ISSN 0031-9007

Shkulipa, S.A. and Otter, W.K. den and Briels, W.J. (2006) Simulations of the dynamics of thermal undulations in lipid bilayers in the tensionless state and under stress. Journal of Chemical Physics , 125 (23). p. 234905. ISSN 0021-9606

Tao, Yu-Guo and Otter, W.K. den and Briels, W.J. (2006) Shear Viscosities and Normal Stress Differences of Rigid Liquid-Crystalline Polymers. Macromolecules, 39 (17). pp. 5939-5945. ISSN 0024-9297

Tao, Yu-Guo and Otter, W.K. den and Briels, W.J. (2006) Periodic orientational motions of rigid liquid-crystalline polymers in shear flow. Journal of Chemical Physics, 124 (20). p. 204902. ISSN 0021-9606

Tao, Yu-Guo and Otter, W.K. den and Dhont, J.K.G. and Briels, W.J. (2006) Isotropic-nematic spinodals of rigid long thin rodlike colloids by event-driven Brownian dynamics simulations. Journal of Chemical Physics, 124 (13). p. 134906. ISSN 0021-9606

Wohlert, J. and Otter, W.K. den and Edholm, O. and Briels, W.J. (2006) Free energy of a trans-membrane pore calculated from atomistic molecular dynamics simulations. Journal of Chemical Physics, 124 (15). p. 154905. ISSN 0021-9606

2005

Boek, E.S. and Padding, J.T. and Otter, W.K. den and Briels, W.J. (2005) Mechanical Properties of Surfactant Bilayer Membranes from Atomistic and Coarse-Grained Molecular Dynamics Simulations. Journal of Physical Chemistry B, 109 (42). pp. 19851-19858. ISSN 1520-6106

Dhont, Jan K.G. and Briels, W.J. (2005) Isotropic-nematic spinodal decomposition kinetics. Physical Review E: Statistical, nonlinear, and soft matter physics, 72 (3). 031404. ISSN 1539-3755

Kindt, P. and Briels, W.J. (2005) Scaling of mesoscale simulations of polymer melts with the bare friction coefficient. Journal of Chemical Physics, 123 (22). p. 224903. ISSN 0021-9606

Padding, J.T. and Boek, E.S. and Briels, W.J. (2005) Rheology of wormlike micellar fluids from Brownian and molecular dynamics simulations. Journal of Physics: Condensed matter, 17 (45). S3347-S3354. ISSN 0953-8984

Shkulipa, S.A. and Otter, W.K. den and Briels, W.J. (2005) Surface Viscosity, Diffusion, and Intermonolayer Friction: Simulating Sheared Amphiphilic Bilayers. Biophysical Journal, 89 (2). pp. 823-829. ISSN 0006-3495

Tao, Yu-Guo and Otter, W.K. den and Briels, W.J. (2005) Kayaking and wagging of rods in shear flow. Physical Review Letters, 95 (2). p. 237802. ISSN 0031-9007

Tao, Yu-Guo and Otter, W.K. den and Padding, J.T. and Dhont, J.K.G. and Briels, W.J. (2005) Brownian dynamics simulations of the self- and collective rotational diffusion coefficients of rigid long thin rods. Journal of Chemical Physics, 122 (2). p. 244903. ISSN 0021-9606

2004

Aleman, Carlos and Otter, W.K. den and Tolpekina, T.V. and Briels, W.J. (2004) Impact of the Solvent on the Conformational Isomerism of Calix[4]arenes:  A Study Based on Continuum Solvation Models. Journal of Organic Chemistry, 69 (3). pp. 951-958. ISSN 0022-3263

Boek, E.S. and Otter, W.K. den and Briels, W.J. and Iakovlev, D. (2004) Molecular–dynamics simulation of amphiphilic bilayer membranes and wormlike micelles: a multi–scale modelling approach to the design of viscoelastic surfactant solutions. Philosophical transactions of the Royal Society of London. Series A (Mathematical, physical and engineering sciences), 362 (1821). pp. 1625-1638. ISSN 1364-503X

Briels, W.J. and Mulder, P. and Otter, W.K. den (2004) Simulations of elementary processes in entangled wormlike micelles under tension: a kinetic pathway to Y-junctions and shear induced structures. Journal of Physics: Condensed matter, 16 (38). S3965. ISSN 0953-8984

Padding, J.T. and Briels, W.J. (2004) A time-integrated estimate of the entanglement mass in polymer melts in agreement with the one determined by time-resolved measurements. Journal of Chemical Physics, 120 (6). pp. 2996-3002. ISSN 0021-9606

Schutyser, M.A.I. and Briels, W.J. and Boom, R.M. and Rinzema, A. (2004) Combined discrete particle and continuum model predicting solid-state fermentation in a drum fermentor. Biotechnology and Bioengineering, 86 (4). pp. 405-413. ISSN 0006-3592

Tolpekina, T.V. and Otter, W.K. den and Briels, W.J. (2004) Nucleation free energy of pore formation in an amphiphilic bilayer studied by molecular dynamics simulations. Journal of Chemical Physics, 121 (12). p. 12060. ISSN 0021-9606

Tolpekina, T.V. and Otter, W.K. den and Briels, W.J. (2004) Simulations of stable pores in membranes: System size dependence and line tension. Journal of Chemical Physics, 121 (16). pp. 8014-8020. ISSN 0021-9606

2003

Dhont, Jan K.G. and Briels, W.J. (2003) Inhomogeneous suspensions of rigid rods in flow. Journal of Chemical Physics, 118 (3). pp. 1466-1478. ISSN 0021-9606

Dhont, Jan K.G. and Briels, W.J. (2003) Viscoelasticity of suspensions of long, rigid rods. Colloids and Surfaces A: Physicochemical and Engineering Aspects, 213 (2-3). pp. 131-156. ISSN 0927-7757

Otter, W.K. den and Briels, W.J. (2003) The bending rigidity of an amphiphilic bilayer from equilibrium and nonequilibrium molecular dynamics. Journal of Chemical Physics, 118 (10). pp. 4712-4720. ISSN 0021-9606

Otter, W.K. den and Shkulipa, S.A. and Briels, W.J. (2003) Buckling and persistence length of an amphiphilic worm from molecular dynamics simulations. Journal of Chemical Physics, 119 (4). pp. 2363-2368. ISSN 0021-9606

Padding, J.T. and Briels, W.J. (2003) Coarse-grained molecular dynamics simulations of polymer melts in transient and steady shear flow. Journal of Chemical Physics, 118 (22). pp. 10276-10286. ISSN 0021-9606

Schutyser, M.A.I. and Briels, W.J. and Rinzema, A. and Boom, R.M. (2003) Numerical simulation and PEPT measurements of a 3D conical helical-blade mixer: A high potential solids mixer for solid-state fermentation. Biotechnology and Bioengineering, 84 (1). pp. 29-39. ISSN 0006-3592

Schutyser, M.A.I. and Pagter, P. de and Weber, F.J. and Briels, W.J. and Boom, R.M. and Rinzema, A. (2003) Substrate aggregation due to aerial hyphae during discontinuously mixed solid-state fermentation with Aspergillus oryzae: Experiments and modeling. Biotechnology and Bioengineering, 83 (5). pp. 503-513. ISSN 0006-3592

Schutyser, M.A.I. and Weber, F.J. and Briels, W.J. and Rinzema, A. and Boom, R.M. (2003) Heat and water transfer in a rotating drum containing solid substrate particles. Biotechnology and Bioengineering, 82 (5). pp. 552-563. ISSN 0006-3592

Tepper, H.L. and Scheinhardt-Engels, S.M. and Briels, W.J. (2003) Molecular dynamics calculations of melting rates with a novel order parameter: The diatomic Pa3 crystal. Journal of Chemical Physics, 118 (19). pp. 8847-8855. ISSN 0021-9606

Tolpekina, T.V. and Otter, W.K. den and Briels, W.J. (2003) Influence of a Captured Solvent Molecule on the Isomerization Rates of Calixarenes. Journal of physical chemistry B, 107 (51). pp. 14476-14485. ISSN 1520-6106

2002

Briels, W.J. and Akkermans, Reinier L.C. (2002) Representation of Coarse-grained Potentials for Polymer Simulations. Molecular Simulation, 28 (1-2). pp. 145-152. ISSN 0892-7022

Dhont, Jan K.G. and Briels, W.J. (2002) Stresses in inhomogeneous suspensions. Journal of Chemical Physics, 117 (8). p. 3992. ISSN 0021-9606

Padding, J.T. and Briels, W.J. (2002) Time and length scales of polymer melts studied by coarse-grained molecular dynamics simulations. Journal of Chemical Physics, 117 (2). pp. 925-943. ISSN 0021-9606

Schutyser, M.A.I. and Weber, F.J. and Briels, W.J. and Boom, R.M. and Rinzema, A. (2002) Three-dimensional simulation of grain mixing in three different rotating drum designs for solid-state fermentation. Biotechnology and Bioengineering, 79 (3). pp. 284-294. ISSN 0006-3592

Tepper, H.L. and Briels, W.J. (2002) Comments on the use of the Einstein equation for transport diffusion: Application to argon in AlPO4-5. Journal of Chemical Physics, 116 (21). pp. 9464-9474. ISSN 0021-9606

Tepper, H.L. and Briels, W.J. (2002) Crystal growth and interface relaxation rates from fluctuations in an equilibrium simulation of the Lennard-Jones (100) crystal-melt system. Journal of Chemical Physics, 116 (12). pp. 5186-5195. ISSN 0021-9606

2001

Akkermans, Reinier L.C. and Briels, W.J. (2001) Coarse-grained interactions in polymer melts: a variational approach. Journal of Chemical Physics, 115 (13). pp. 6210-6219. ISSN 0021-9606

Akkermans, Reinier L.C. and Briels, W.J. (2001) A structure-based coarse-grained model for polymer melts. Journal of Chemical Physics, 114 (2). pp. 1020-1031. ISSN 0021-9606

Padding, J.T. and Briels, W.J. (2001) Uncrossability constraints in mesoscopic polymer melt simulations: Non-Rouse behavior of C120H242. Journal of Chemical Physics, 115 (6). pp. 2846-2859. ISSN 0021-9606

Padding, J.T. and Briels, W.J. (2001) Zero-shear stress relaxation and long time dynamics of a linear polyethylene melt: A test of Rouse theory. Journal of Chemical Physics, 114 (19). pp. 8685-8693. ISSN 0021-9606

Schutyser, M.A.I. and Padding, J.T. and Weber, F.J. and Briels, W.J. and Rinzema, A. and Boom, R. (2001) Discrete particle simulations predicting mixing behavior of solid substrate particles in a rotating drum fermenter. Biotechnology and Bioengineering, 75 (6). pp. 666-675. ISSN 0006-3592

Tepper, H.L. and Briels, W.J. (2001) Crystallization and melting in the Lennard-Jones system: Equilibration, relaxation, and long-time dynamics of the moving interface. Journal of Chemical Physics, 115 (20). pp. 9434-9443. ISSN 0021-9606

Tepper, H.L. and Briels, W.J. (2001) Simulations of crystallization and melting of the FCC (1 0 0) interface: the crucial role of lattice imperfections. Journal of Crystal Growth, 230 (1-2). pp. 270-276. ISSN 0022-0248

2000

Akkermans, Reinier L.C. and Briels, W.J. (2000) Coarse-grained dynamics of one chain in a polymer melt. Journal of Chemical Physics, 113 (15). pp. 6409-6422. ISSN 0021-9606

Hoogenboom, J.P. and Tepper, H.L. and Vegt, N.F.A. van der and Briels, W.J. (2000) Transport diffusion of argon in AlPO4-5 from equilibrium molecular dynamics simulations. Journal of Chemical Physics, 113 (16). pp. 6875-6881. ISSN 0021-9606

Otter, W.K. den and Briels, W.J. (2000) Free energy from molecular dynamics with multiple constraints. Molecular Physics, 98 (12). pp. 773-781. ISSN 0026-8976

1999

Dhont, Jan K.G. and Bruggen, Michel P.B. van and Briels, W.J. (1999) Long-Time Self-Diffusion of Rigid Rods at Low Concentrations: A Variational Approach. Macromolecules, 32 (11). pp. 3809-3816. ISSN 0024-9297

Tepper, H.L. and Hoogenboom, J.P. and Vegt, N.F.A. van der and Briels, W.J. (1999) Unidirectional diffusion of methane in AlPO4-5. Journal of Chemical Physics, 110 (23). pp. 11511-11516. ISSN 0021-9606

Vegt, N.F.A. van der and Wessling, M. and Strathmann, H. and Briels, W.J. (1999) The sorption induced glass transition in amorphous glassy polymers. Journal of Chemical Physics, 110 (22). pp. 11061-11069. ISSN 0021-9606

1998

Akkermans, Reinier L.C. and Toxvaert, Soren and Briels, W.J. (1998) Molecular dynamics of polymer growth. Journal of Chemical Physics, 109 (7). pp. 2929-2940. ISSN 0021-9606

Hoomans, B.P.B. and Kuipers, J.A.M. and Briels, W.J. and Swaaij, W.P.M. van (1998) Comments on the paper "Numerical simulation of the gas-solid flow in a fluidized bed by combining discrete particle method with computational fluid dynamics" by B.H. Xu and A.B. Yu. Chemical Engineering Science, 53 (14). pp. 2645-2646. ISSN 0009-2509

Hoorn, Willem P. van and Briels, Wim J. and Duynhoven, John P.M. van and Veggel, Frank C.J.M. van and Reinhoudt, David N. (1998) Conformational distribution of tetramethoxycalix[4]arenes by molecular modeling and NMR spectroscopy: a study of apolar solvation. Journal of Organic Chemistry, 63 (4). pp. 1299-1308. ISSN 0022-3263

Otter, W.K. den and Briels, W.J. (1998) The calculation of free-energy differences by constrained molecular-dynamics simulations. Journal of Chemical Physics, 109 (11). pp. 4139-4146. ISSN 0021-9606

Otter, W.K. den and Briels, W.J. (1998) Solvent Effect on the Isomerization Rate of Calix[4]arene Studied by Molecular Dynamics Simulations. Journal of the American Chemical Society, 120 (50). pp. 13167-13175. ISSN 0002-7863

Vegt, N.F.A. van der and Briels, W.J. (1998) Efficient sampling of solvent free energies in polymers. Journal of Chemical Physics, 109 (17). pp. 7578-7582. ISSN 0021-9606

Vegt, N.F.A. van der and Briels, W.J. and Wessling, M. and Strathmann, H. (1998) A nonequilibrium simulation method for calculating tracer diffusion coefficients of small solutes in n-alkane liquids and polymers. Journal of Chemical Physics, 108 (22). pp. 9558-9565. ISSN 0021-9606

Vegt, N.F.A. van der and Briels, W.J. and Wessling, M. and Strathmann, H. (1998) The sorption induced glass transition in amorphous glassy polymer membranes. In: Membraantechnologie 9: Over de voortgang van het membraanonderzoek in Nederland en Belgie - Posterdag NMG. Nederlands Membranengenootschap (NMG), Enschede, p. 28. ISBN 9789036512046

1997

Briels, W.J. and Leuwerink, F.T.H. (1997) Diffusive motions in liquid 18-crown-6: a molecular dynamics study. Journal of Chemical Physics, 106 (19). pp. 8140-8148. ISSN 0021-9606

Briels, W.J. and Tepper, H.L. (1997) Crystal Growth of the Lennard-Jones (100) Surface by Means of Equilibrium and Nonequilibrium Molecular Dynamics. Physical Review Letters, 79 (25). pp. 5074-5077. ISSN 0031-9007

Leuwerink, F.T.H. and Briels, W.J. (1997) Dielectric Constant and Structure of Liquid 18-Crown-6 Calculated from Molecular Dynamics Simulations. Journal of Physical Chemistry B: Materials, surfaces, interfaces, & biophysical, 101 (6). pp. 1024-1034. ISSN 1520-6106

Otter, W.K. den and Briels, W.J. (1997) Molecular dynamics simulations of free energy and conformational transition rates of calix[4]arene in chloroform. Journal of Chemical Physics, 107 (13). pp. 4968-4978. ISSN 0021-9606

Otter, W.K. den and Briels, W.J. (1997) The reactive flux method applied to complex isomerization reactions: Using the unstable normal mode as a reaction coordinate. Journal of Chemical Physics, 106 (13). pp. 5494-5508. ISSN 0021-9606

Vegt, N.F.A. van der and Briels, W.J. and Wessling, M. and Strathmann, H. (1997) Tracer diffusion in n-alkene liquids and polymers. A non-equilibrium molecular dynamics study. In: Proceedings in Book of Abstracts 'Euromembrane '97', third international symposium 'Progress in Membrane, Science and Technology. European Society for Membrane Science and Technology, Enschede, p. 76. ISBN 9789036509725

Vegt, N.F.A. van der and Briels, W.J. and Wessling, M. and Strathmann, H. (1997) Solubilities in rubbery and glassy polymers: a computer simulation. In: Proceedings in Book of Abstracts 'Euromembrane '97', third international symposium 'Progress in Membrane, Science and Technology'. European Society for Membrane Science and Technology, Enschede, pp. 29-32. ISBN 9789036509725

1996

Hoomans, B.P.B. and Kuipers, J.A.M. and Briels, W.J. and Swaaij, W.P.M. van (1996) Discrete particle simulation of bubble and slug formation in a two-dimensional gas-fluidised bed: a hard-sphere approach. Chemical Engineering Science, 51 (1). pp. 99-108. ISSN 0009-2509

Vegt, Nico F.A. van der and Briels, Wim J. and Wessling, Matthias and Strathmann, Heiner (1996) Free energy calculations of small molecules in dense amorphous polymers. Effect on the initial guess configuration in molecular dynamics studies. Journal of Chemical Physics, 1996 (105). pp. 8849-8857. ISSN 0021-9606

Vries, R.Y. de and Briels, W.J. and Feil, D. (1996) Critical Analysis of Non-Nuclear Electron-Density Maxima and the Maximum Entropy Method. Physical Review Letters, 77 (9). pp. 1719-1711. ISSN 0031-9007

Vries, R.Y. de and Briels, W.J. and Feil, D. and Velde, G. te and Baerends, E.J. (1996) Charge density study with the Maximum Entropy Method on model data of silicon. A search for non-nuclear attractors. Canadian Journal of Chemistry, 76 (6). pp. 1054-1058. ISSN 0008-4042

1995

Brinkman, H.W. and Briels, W.J. and Verweij, H. (1995) Molecular dynamics simulations of yttria-stabilized zirconia. Chemical Physics Letters, 247 (4-6). pp. 386-390. ISSN 0009-2614

Leuwerink, F.T.H. and Briels, W.J. (1995) The dipole moment of 18-crown-6: Molecular dynamics study of the structure and dynamics of the macrocycle in vacuo and in cyclohexane. Journal of Chemical Physics, 103 (11). pp. 4637-4652. ISSN 0021-9606

Leuwerink, F.T.H. and Briels, W.J. (1995) Root-Mean-Square Dipole Moment and Neutron Scattering Function of 18-Crown-6 in Cyclohexane: Comparison of Three Potential Models. Journal of Physical Chemistry, 99 (45). pp. 16549-16557. ISSN 0022-3654

Liu, X.Y. and Boek, E.S. and Briels, W.J. and Bennema, P. (1995) Analysis of morphology of crystals based on identification of interfacial structure. Journal of Chemical Physics, 103 (9). pp. 3747-3754. ISSN 0021-9606

Liu, X.Y. and Boek, E.S. and Briels, W.J. and Bennema, P. (1995) Prediction of crystal growth morphology based on structural analysis of the solid-fluid interface. Nature, 374 (6521). pp. 342-345. ISSN 0028-0836

Palys, Barbara J. and Ham, Dirk M.W. van den and Briels, Wim and Feil, Dirk (1995) Resonance Raman spectra of phthalocyanine monolayers on different supports. A normal mode analysis of zinc phthalocyanine by means of the MNDO method. Journal of Raman Spectroscopy, 26 (1). pp. 63-76. ISSN 0377-0486

1994

Vries, R.Y. de and Briels, W.J. and Feil, D. (1994) Novel treatment of the experimental data in the application of the maximum-entropy method to the determination of the electron-density distribution from X-ray experiments. Acta crystallographica Section A: Foundations of crystallography, 50 . pp. 383-391. ISSN 0108-7673

1993

Boek, E.S. and Briels, W.J. (1993) Molecular dynamics simulations of aqueous urea solutions: Study of dimer stability and solution structure, and calculation of the total nitrogen radial distribution function GN(r. Journal of Chemical Physics, 98 (2). pp. 1422-1427. ISSN 0021-9606

Huiszoon, C. and Briels, W.J. (1993) The static dipole polarizabilities of helium and molecular hydrogen by differential diffusion Monte Carlo. Chemical Physics Letters, 203 (1). pp. 49-54. ISSN 0009-2614

Leuwerink, F.T.H. and Harkema, S. and Briels, W.J. and Feil, D. (1993) Molecular dynamics of 18-crown-6 complexes with alkali-metal cations and urea: Prediction of their conformations and comparison with data from the cambridge structural database. Journal of Computational Chemistry, 14 (8). pp. 899-906. ISSN 0192-8651

1992

Boek, E.S. and Briels, W.J. and Eerden, J. van and Feil, D. (1992) Molecular-dynamics simulations of interfaces between water and crystalline urea. Journal of Chemical Physics, 96 (9). pp. 7010-7018. ISSN 0021-9606

1991

Boek, E.S. and Feil, D. and Briels, W.J. and Bennema, P. (1991) From wave function to crystal morphology: application to urea and alpha-glycine. Journal of Crystal Growth, 114 (3). pp. 389-410. ISSN 0022-0248

1989

Eerden, J. van and Briels, W.J. and Harkema, S. and Feil, D. (1989) Potential of mean force by thermodynamic integration: molecular-dynamics simulation of decomplexation. Chemical Physics Letters, 164 (4). pp. 370-376. ISSN 0009-2614

Kruif, C.G. de and Rouw, P.W. and Briels, W.J. and Duits, M.H.G. and Vrij, A. and May, R.P. (1989) Adhesive Hard-Sphere Colloidal Dispersions. A Small-Angle Neutron-Scattering Study of Stickiness and the Structure Factor. Langmuir, 5 (2). pp. 422-428. ISSN 0743-7463

This list was generated on Tue Oct 21 05:26:38 2014 CEST.