B. Smit

Hysteresis in Clay Swelling Induced by Hydrogen Bonding: Accurate Prediction of Swelling States (2006)

Tambach, T.J., Bolhuis, P.G., Hensen, E.J.M., Smit, B.

The last avulsions of the Rhine (1421) (2005)

Weerts, H.J.T., Cleveringa, P., Maas, G.J., Meijer, T., ...

Molecular simulations of the adsorption of cycloalkanes in MFI-type silica (2005)

Schenk, M., Smit, B, Maesen, T.L.M., Vlugt, T.J.H.

Simulation studies of protein-induced bilayer deformations, and lipid-induced protein tilting, on a mesoscopic model for lipid bilayers with embedded proteins (2005)

Venturoli, M., Smit, B., Sperotto, M.M.

Phase Behavior of Model Lipid Bilayers (2005)

Molecular simulations of the adsorption of cycloalkanes in MFI-type silica (2005)

Schenk, M., Smit, B., Maesen, Th.L.M., Vlugt, T.J.H.

Molecular simulation of loading-dependent diffusion in nanoporous materials using extended dynamically corrected transition state theory (2005)

Dubbeldam, D., Beerdsen, E., Vlugt, T.J.H., Smit, B.

Adsorption and separation of linear and branched alkanes on carbon nanotube bundles from configurational-bias Monte Carlo simulation (2005)

Jiang, J., Sandler, S.I., Schenk, M., Smit, B.

Molecular path control in zeolite membranes (2005)

Elucidating alkane adsorption in sodium-exchanged zeolites from molecular simulations to empirical equations (2005)

Garcia-Perez, E., Torrens, I.M., Lago, S., Dubbeldam, D., Vlugt, T.J.H., Maesen, Th.L.M., ...

Molecular Understanding of Diffusion in Confinement (2005)

Beerdsen, E., Dubbeldam, D., Smit, B.

Understanding the Loading Dependence of Self-Diffusion in Carbon Nanotubes (2005)

Jakobtorweihen, S., Verbeek, M.G., Lowe, C.P., Keil, F., Smit, B.

Elucidating alkane adsorption in sodium-exchanged zeolites from molecular simulations to empirical equations (2005)

García-Pérez, E., Torréns, I.M., Lago, S., Dubbeldam, D., Vlugt, T.J.H., Maesen, Th.L.M., ...

Configurational-bias Monte Carlo (CBMC) simulations provide adsorption isotherms, Henry coefficients and heats of adsorption of linear alkanes in sodium-exchanged MFI- and FAU-type zeolites. These...

Simulation studies of protein-induced bilayer deformations, and lipid-induced protein tilting, on a mesoscopic model for lipid bilayers with embedded proteins (2005)

Venturoli, M., Smit, B., Sperotto, M.M.

Computer Modelling Microporous & Mesoporous Materials (2004)

Catlow, R., Santen, R.A., Smit, B.

Clay minerals: A molecular mechanism of hysteresis in clay swelling (2004)

Tambach, T.J., Bolhuis, P.G., Smit, B.

Comparison of mesoscopic phospholipid-water models (2004)

Kranenburg, M., Nicolas, J-P., Smit, B.

Reply to the Comment on "Computer Simulation of Incommensurate Diffusion in Zeolites: Understanding Window Effects" (2004)

Dubbeldam, D., Maesen, Th.L.M., Smit, B.

The selectivity of n-hexane hydroconversion on MOR-, MAZ-, and FAU-type (2004)

Calero, S., Schenk, M., Dubbeldam, D., Maesen, Th.L.M., Smit, B.

Analyses of a series of published n-hexane hydroisomerization product slates suggest that MAZ-type zeolites yield more dimethylbutane and less methylpentane than either FAU- or MOR-type zeolites....

Molecular Simulation of Loading Dependent Slow Diffusion in Confined Systems (2004)

Beerdsen, E., Smit, B., Dubbeldam, D.

An extension to transition state theory is presented that is capable of computing quantitatively the diffusivity of adsorbed molecules in confined systems at nonzero loading. This extension to...

Molecular Simulations of Surface Forces and Film Rupture in Oil/Water/Surfactant Systems (2004)

Capillary phase transitions of n-Alkanes in a Carbon nanotube. (2004)

Jiang, J., Sandler, S.L., Smit, B.

Molecular simulations of adsorption isotherms of small alkanes in FER-, TON-, MTW-, and DON-type zeolites (2004)

Ndjaka, J-M. B., Zwanenburg, G., Smit, B., Schenk, M.

A molecular mechanism of hysteresis in clay swelling. (2004)

Tambach, T.J., Bolhuis, P.G., Smit, B.

Simulating the effect of alcohol on the structure of a membrane. (2004)

Chain length dependencies of the bending modulus of surfactant monolayers. (2004)

Force field parametrization through fitting on inflection points in isotherms. (2004)

Dubbeldam, D., Calero Diaz, S., Vlugt, T.J.H., Krishna, R., Maesen, T.L.M., Beerdsen, E., ...

Simulating induced interdigitation in membranes. (2004)

Kranenburg, M., Vlaar, M., Smit, B.

Comparison of mesoscopic phospholipid-water models. (2004)

Mesoscopic simulations of phase transitions in lipid bilayers. (2004)

In this study we show how a coarse-grained model of a phospholipid can be developed and we study the parameter sets applied to the formation of a coarse-grained dimyristoyl phosphatidyl choline...

Kranenburg, M., Laforge, C., Smit, B.

The formation of the rippled phase in biological membranes and its relation with anomalous swelling are still lacking a molecular explanation. Starting from all-atom simulations we use a mapping to...

Molecular Simulations of Swelling Clay Minerals. (2004)

Tambach , T.J., Hensen, E.J. M., Smit, B.

United Atom Force Field for Alkanes in Nanoporous Materials. (2004)

Dubbeldam, D., Calero Diaz, S., Vlugt, T.J.H., Krishna , R., Maesen, T. L. M., Smit, B.

Reply to the Comment on "Computer Simulation of Incommensurate Diffusion in Zeolites: Understanding Window Effects". (2004)

Dubbeldam, D., Maesen, T. L. M., Smit, B.

Alkane hydrocracking: shape selectivity or kinetics? (2004)

Maesen, T. L.M, Calero Diaz, S., Schenk, M., Smit, B.

The selectivity of n-hexane hydroconversion on MOR-, MAZ-, and FAU-type zeolites. (2004)

Calero Diaz, S., Schenk, M., Dubbeldam, D., Maesen, T. L.M, Smit, B.

Analyses of a series of published n-hexane hydroisomerization product slates suggest that MAZ-type zeolites yield more dimethylbutane and less methylpentane than either FAU- or MOR-type zeolites....

Computer modelling of microporous materials. (2004)

Catlow, C.R.A., Santen, R.A. Van, Smit, B.

Simulating the effect of surfactant structure on bending moduli of monolayers (2004)

Computer modelling of microporous materials (2004)

Catlow, CRA, Santen, RA Van, Smit, B

Force field parameterization through fitting on inflection points in isotherms (2004)

Dubbeldam, D., Calero, S., Vlugt, T.J.H., Krishna, R., Maesen, Th.L.M., Beerdsen, E., ...

Understanding the role of sodium during adsorption. A force field for alkanes in sodium exchanged faujasites (2004)

Calero, S., Dubbeldam, D., Krishna, R., Smit, B, Vlugt, T.J.H., Denayer, J.F.M., ...

United atom force field for alkanes in nanoporous materials (2004)

Dubbeldam, D., Calero, S., Vlugt, T.J.H., Krishna, R., Maesen, Th.L.M., Smit, B

Alkane hydrocracking: shape selectivity or kinetics? (2004)

Maesen, Th.L.M., Calero, S., Schenk, M., Smit, B.

Capillary Phase Transitions of n-Alkanes in a Carbon Nanotube (2004)

Jiang, J., Sandler, S.I., Smit, B.

Molecular simulations of adsorption isotherms of small alkanes in FER-, TON-, MTW-, and DON-type zeolites (2004)

Ndjaka, J-M.B., Zwanenburg, G., Smit, B., Schenk, M.

Simulating the effect of surfactant structure on bending moduli of monolayers (2004)

Chain Length Dependencies of the Bending Modulus of Surfactant Monolayers (2004)

Molecular Simulations of Swelling Clay Minerals (2004)

Tambach, T.J., Hensen, E.J.M., Smit, B.

Simulating the effect of alcohol on the structure of a membrane (2004)

United Atom Force Field for Alkanes in Nanoporous Materials (2004)

Dubbeldam, D., Calero, S., Vlugt, T.J.H., Krishna, R., Maesen, Th.L.M., Smit, B.

Simulating Induced Interdigitation in Membranes (2004)

Kranenburg, M., Vlaar, M., Smit, B.

Understanding the Role of Sodium during Adsorption: A Force Field for Alkanes in Sodium-Exchanged Faujasites (2004)

Calero, S., Dubbeldam, D., Krishna, R., Smit, B., Vlugt, T.J.H., Denayer, J.F.M., ...

Mesoscopic simulations of phase transitions in lipid bilayers (2004)

A Framework for Assessing the Vulnerability of Communities in the Canadian Arctic to Risks Associated with Climate Change (2004)

Ford, J. D., Smit, B.

"Adaptation to climate change is recognized as an important policy issue by international bodies such as the United Nations and by various national governments. Initiatives to identify adaptation...

Abschätzung der Auswirkungen der Krautfäule auf den Bio-Kartoffelbau in verschiedenen Europäischen Ländern, sowie Inventar der angewendeten Anbau- und Pflanzenschutzstrategien (2003)

Tamm, L., Smit, B., Hospers, M., Jannsens, B., Burma, J., Mølgaard, J.P., ...

Problemstellung/Ziele Die Kraut- und Knollenfäule (Phytophthora infestans) ist die Krankheit, die im biologischen (aber auch konventionellen) Kartoffelanbau in Europa die größten Probleme...

Simulating adsorption of alkanes in zeolites. (2003)

Smit, B., Krishna, R.

Understanding the window effect in zeolite catalysis. (2003)

Dubbeldam, D., Calero Diaz, S., Maesen, T.L.M., Smit, B.

High-pressure liquid phase hydroconversion of heptane/nonane mixtures on Pt/H-Y zeolite catalyst (2003)

Denayer, J.F.M., Ocakoglu, R.A., Huybrechts, W., Dejonckheere, B., Jacobs, P., Calero Diaz, S., ...

Molecular simulations of mesoscopic bilayer phases (2003)

Kranenburg, M., Venturoli, M., Smit, B.

Incommensurate Diffusion in Confined Systems (2003)

Dubbeldam, D., Calero Diaz, S., Maesen, Th.L.M., Smit, B.

Shape selectivity through entropy. (2003)

Schenk, M., Calero Diaz, S., Maesen, Th.L.M., Vlugt, T.J.H., Benthem, L.L. Van, Verbeek, M.G., ...

Effect of surfactant structure on interfacial properties (2003)

Rekvig, L., Kranenburg, M., Hafskjold, B., Smit, B.

Investigation of Surfactant Efficiency Using Dissipative Particle Dynamics (2003)

Rekvig, L., Kranenburg, M., Vreede, J., Hafskjold, B., Smit, B.

Phase Behavior and Induced Interdigitation in Bilayers Studied with Dissipative Particle Dynamics (2003)

Kranenburg, M., Venturoli, M., Smit, B.

Simulating the Effect of Nonframework Cations on the Adsorption of Alkanes in MFI-type Zeolites (2003)

Beerdsen, E., Dubbeldam, D., Smit, B., Vlugt, T.J.H., Calero Diaz, S.

Computer Simulation of Incommensurate Diffusion in Zeolites: Understanding Window Effects (2003)

Dubbeldam, D., Smit, B.

High Pressure Liquid Phase Hydroconversion of Heptane/Nonane Mixture on Pt/H-Y Zeolite Catalyst (2003)

Denayer, J.F.M., Ocakoglu, R.A., Huybrechts, W., Dejonckheere, B., Martens, J.A., Jacobs, P., ...

Modelling issues in zeolite applications (2003)

Krishna, R., Smit, B.

Molecular simulations in zeolitic process design. (2003)

Smit, B., Krishna, R.

Time resolved multicomponent sorption of linear and branched alkane isomers on zeolites, using NIR spectroscopy (2003)

Porfirio Ferreira, A.F., Mittelmeijer-Hazeleger, M.C., Schenk, M., Bliek, A., Smit, B.

Abschätzung der Auswirkungen der Krautfäule auf den Bio-Kartoffelbau in verschiedenen Europäischen Ländern, sowie Inventar der angewendeten Anbau- und Pflanzenschutzstrategien (2003)

Tamm, L., Smit, B., Hospers, M., Jannsens, B., Burma, J., Mølgaard, J.P., ...

Problemstellung/Ziele Die Kraut- und Knollenfäule (Phytophthora infestans) ist die Krankheit, die im biologischen (aber auch konventionellen) Kartoffelanbau in Europa die größten Probleme...

High Pressure Liquid Phase Hydroconversion of Heptane/Nonane Mixture on Pt/H-Y Zeolite Catalyst (2003)

Ocakoglu, R, Calero, S, ...

FWO Vlaanderen; IAP-PAI; GOA

Understanding molecular simulation : from algorithms to applications. 2nd ed. (2002)

Understanding zeolite catalysis: Inverse shape selectivity revised (2002)

Schenk, M., Calero Diaz, S., Maesen, Th.L.M., Benthem, L.L. Van, Verbeek, M.G., Smit, B.

Molecular dynamics simulations of the surface tension of n-hexane, n-decane and n-hexadecane (2002)

Nicolas, J-P., Smit, B.

Simulating Tethered Polymer Layers in Shear Flow with the Dissipative Particle Dynamics Technique (2002)

Wijmans, C.M., Smit, B.

The influence of non-framework sodium cations on the adsorption of alkanes in MFI- and MOR-type zeolites (2002)

Beerdsen, E., Smit, B., Calero Diaz, S.

Why Clays Swell (2002)

Hensen, E.J.M., Smit, B.

Investigation of Entropy effects during Sorption of Mixtures of Alkanes in MFI zeolite (2002)

Krishna, R., Calero Diaz, S., Smit, B.

Entropy effects during sorption of alkanes in zeolites (2002)

Krishna, R., Smit, B., Calero Diaz, S.

Analysis of mouse Rad54 expression and its implications for homologous recombination. (2002)

Essers, J., Hendriks, R.W., Wesoly, J., Beerens, C.E., Smit, B., Hoeijmakers, J.H.J., ...

Homologous recombination is one of the major pathways for repair of DNA double-strand breaks (DSBs). Important proteins in this pathway are Rad51 and Rad54. Rad51 forms a nucleoprotein filament on...

UVB radiation-induced cancer predisposition in Cockayne syndrome group A (Csa) mutant mice. (2002)

Meira, L., Gorgels, T.G., Wit, J. De, Velasco-Miguel, S., Richardson, J.A., ...

Cockayne syndrome (CS) is an inherited photosensitive neurodevelopmental disorder caused by a specific defect in the transcription-coupled repair (TCR) sub-pathway of NER. Remarkably, despite their...

Understanding molecular simulation: from algorithms to applications (2002)

Cultuur in de bieb, de bieb en cultuur : een delphi-onderzoek naar de culturele functie van de bibliotheek en mogelijkheden voor samenwerking (2001)

Second and revised edition Understanding Molecular Simulation: From Algorithms to Applications explains the physics behind the "recipes" of molecular simulation for materials science. Computer...

Introduction to Zeolite Theory and Modelling (2001)

Santen, R.A., Smit, B., Graaf, B. Van De

Simulating shape selectivity in alkane hydroconversion by zeolites (2001)

Schenk, M., Maesen, Th.L.M., Smit, B.

On the efficient sampling of pathways in the transition path ensemble (2001)

Vlugt, T.J.H., Smit, B.

Shape selectivity in alkane hydroconversion (2001)

Schenk, M., Smit, B., Vlugt, T.J.H., Maesen, Th.L.M.

Phase behavior of monomeric mixtures and polymer solutions with soft interaction potentials (2001)

Wijmans, C.M., Smit, B., Groot, R.D.

Adsorption and Diffusion of n-Hexane/2-Methylpentane Mixtures in Zeolite Silicalite: Experiments and Modeling (2001)

Schuring, D., Koriabkina, A.O., Jong, A.M. De, Smit, B., Santen, R.A.

Adsorption isotherms of water in Li-, Na-, and K-montmorillonite by molecular simulation (2001)

Hensen, E.J.M., Tambach, T.J., Bliek, A., Smit, B.

Differences between MFI- and MEL-type Zeolites in Paraffin Hydrocracking (2001)

Maesen, Th.L.M., Schenk, M., Vlugt, T.J.H., Smit, B.

Monte Carlo simulations in zeolites (2001)

Smit, B., Krishna, R.

Separation of linear, mono-methyl and di-methyl alkanes in the 5 - 7 carbon atom range by exploiting configurational entropy effects during sorption on silicalite-1. (2001)

Calero Diaz, S., Smit, B., Krishna, R.

Configurational entropy effects during sorption of hexane isomers in silicalite (2001)

Calero Diaz, S., Smit, B., Krishna, R.

Separation of alkane isomers by exploiting entropy effects during adsorption on silicalite-1: A Configurational-Bias Monte Carlo simulation stud (2001)

Schenk, M., Vidal, S.L., Vlugt, T.J.H., Smit, B., Krishna, R.

Exploiting entropy to separate alkane isomers (2001)

Krishna, R., Smit, B.

On the Efficient Sampling of Pathways in the Transition Path Ensemble (2001)

Vlugt,T. J. H., Smit,B.

Separation of Alkane Isomers by Exploiting Entropy Effects during Adsorption on Silicalite-1: A Configuttion-Bias Monte Carlo Simulation Study (2001)

Schenk,M., Vidal,S. L., Vlugt,T. J. H., Smit,B., Krishna,R.

Shape Selectivity in Hydrocarbon Conversion (2001)

Schenk,M., Smit,B., Vlugt,T. J. H., Maesen,T. L. M.

Adsorption and diffusion of n-hexane/2-methylpentane mixtures in zeolite silicalite: Experiments and modeling (2001)

Schuring, D, Koriabkina, AO, Jong, AM De, Smit, B, Santen, RA Van

Introduction to zeolite theory and modelling (2001)

Santen, RA Van, Graaf, B Van De, Smit, B

On the Efficient Sampling of Pathways in the Transition Path Ensemble (2001)

Vlugt, T. J. H., Smit, B.

Separation of Alkane Isomers by Exploiting Entropy Effects during Adsorption on Silicalite-1: A Configuttion-Bias Monte Carlo Simulation Study (2001)

Schenk, M., Vidal, S. L., Vlugt, T. J. H., Smit, B., Krishna, R.

Shape Selectivity in Hydrocarbon Conversion (2001)

Schenk, M., Smit, B., Vlugt, T. J. H., Maesen, T. L. M.

Book review of: Chemical Modeling: from atoms to liquids (2000)

Book review (2000)

Diffusion of isobutane in silicalite studied by transition path sampling (2000)

Vlugt, T.J.H., Dellago, C., Smit, B.

Advanced CBMC techniques. (2000)

Vlugt, T.J.H., Smit, B.

Treatment of neonatal abstinence syndrome (2000)

Soepatmi, S., Kempen, A. Van, Smit, B.

A human homolog of the yeast nucleotide excision repair gene MMS19 interacts with transcription repair factor TFIIH through the XPB and XPD helicases. (2000)

Seroz, T., Winkler, G.S., Auriol, J., Verhage, R.A., Vermeulen, W., Smit, B., ...

Nucleotide excision repair (NER) removes UV-induced photoproducts and numerous other DNA lesions in a highly conserved 'cut-and-paste' reaction that involves approximately 25 core components. In...

Targeted disruption of the cell-cycle checkpoint gene ATR leads to early embryonic lethality in mice. (2000)

Klein, A. De, Muijtjens, M., Os, R. Van, Verhoeven, Y., Smit, B., Carr, A.M., ...

Checkpoints of DNA integrity are conserved throughout evolution, as are the kinases ATM (Ataxia Telangiectasia mutated) and ATR (Ataxia- and Rad-related), which are related to phosphatidylinositol...

Cloning of a human homolog of the yeast nucleotide excision repair gene MMS19 and interaction with transcription repair factor TFIIH via the XPB and XPD helicases (2000)

Seroz, T., Hoeijmakers, J.H., Winkler, G.S., Auriol, J., Verhage, R.A., Vermeulen, W., ...

Nucleotide excision repair (NER) removes UV-induced photoproducts and numerous other DNA lesions in a highly conserved 'cut-and-paste' reaction that involves approximately 25 core components. In...

Diffusion of Isobutane in Silicalite Studied by Transition Path Sampling (2000)

Vlugt, T. J. H., Dellago, C., Smit, B.

Recoil Growth Algorithm for Chain Molecules with continuous interactions. (1999)

Consta, S., Vlugt, T.J.H., Wichers Hoeth, J., Smit, B., Frenkel, D.

Chemie in cyberspace (1999)

Simulating the self-assembly of model membranes. (1999)

Venturoli, M., Smit, B.

The shape selectivity of paraffin hydroconversion on TON-, MTT- and AEL-type sieves (1999)

Maesen, Th.L.M., Schenk, M., Vlugt, T.J.H., Jonge, J.P. De, Smit, B.

Adsorption of linear and branched alkanes in ferrierite: A computational study (1999)

Vlugt, T.J.H., Smit, B., Krishna, R.

Molecular simulations of adsorption isotherms of linear and branched alkanes and their mixtures in silicalite (1999)

Vlugt, T.J.H., Smit, B., Krishna, R.

Influence of isotherm inflection on diffusion in silicalite. (1999)

Krishna, R., Vlugt, T.J.H., Smit, B.

Recoil growth algorithm for chain molecules with continuous interactions (1999)

Consta, S., Vugt, Th.J.H., Wichers Hoeth, J., Smit, B., Frenkel, D.

The recoil growth (RG) scheme is a dynamic Monte Carlo algorithm that has been suggested as an improvement over the configurational bias Monte Carlo (CBMC) method (Consta, S., Wilding, N. B.,...

Monte Carlo Simulations for Studying Complex Fluids. (1998)

Combining Dissipative Particle Dynamics and Monte Carlo techniques. (1998)

Willemsen, S., Vlugt, T.J.H., Hoefsloot, H., Smit, B.

Wassen in de computer. (1998)

Sorption-Induced diffusion-selective separation of hydrocarbon isomers using silicalite. (1998)

Krishna, R., Smit, B., Vlugt, T.J.H.

Molecular simulation of adsorption of short linear alkanes and their mixtures in silicalite. (1998)

Du, Z., Vlugt, T.J.H., Smit, B., Manos, G.

Simulation of alkane adsorption in the aluminophosphate molecular sieve ALPO4-5. (1998)

Maris, T., Vlugt, T.J.H., Smit, B.

Some applications of the configurational-bias Monte Carlo technique. (1998)

Chain length effects of linear Alkanes in Zeolite Ferrierite. 1. Sorption and 13C NMR Experiments. (1998)

Cottin, X., Haan, J.W. De, Smit, B., Nivarthy, G., Lercher, J.A., ...

Chain length effects of linear Alkanes in Zeolite Ferrierite. 2. Molecular Simulations. (1998)

Cottin, X., Smit, B., Santen, R.A. Van

Effect of Chain Length on the Adsorption Behavior of n-Alkanes in Ferrierite. (1998)

Cottin, X., Haan, J.W. De, Santen, R.A. Van, Smit, B.

Improving the efficiency of the CBMC algorithm. (1998)

Vlugt, T.J.H., Martin, M.G., Smit, B., Siepmann, J.I., Krishna, R.

Effect of chain length on the adsorption behaviour of n- alkanes in ferrierite (1998)

Well, WJM Van, Cottin, XSJ, Haan, JW De, Santen, RA Van, Smit, B

Chain length effects of linear alkanes in zeolite ferrierite. Part 1: Sorption and 13C NMR experiments (1998)

Well, WJM Van, Cottin, XSJ, Haan, JW De, Smit, B, Nivarthy, G, Lercher, JA, ...

Chain length effects of linear alkanes in zeolite ferrierite, Part 2: Molecular simulations (1998)

Well, WJM Van, Cottin, XSJ, Smit, B, Hooff, JHC Van, Santen, RA Van

chain length effects of linear alkanes in zeolite ferrierite.1. sorption and 13C NMR experiments (1998)

Cottin, X., Haan, J.W. De, Smit, B., Nivarthy, G.S., Lercher, J.A., ...

Effect of Chain Length on the Adsorption Behavior of n-Alkanes in Ferrierite Angew (1998)

Cottin, X., Haan, J.W. De, Santen, R.A., Smit, B.

Adsorption of Short Linear Alkanes and their Mixtures in Silicalite (1998)

Du, Z., Vlugt, T.J.H., Smit, B., Manos, G.

Some applications of the configurational-bias Monte Carlo technique (1998)

Molecular simulations of adsorption isotherms of linear and branched alkanes and their mixtures in silicalite (1998)

Vlugt, T.J.H., Krishna, R., Smit, B.

Adsorption of linear and branched alkanes in the zeolite silicalite-1 (1998)

Vlugt, T.J.H., Zhu, W., Kapteijn, F., Moulijn, J.A., Smit, B., Krishna, R.

Characterization of photolyase/blue-light receptor homologs in mouse and human cells (1998)

Kobayashi, K, Kanno, S, Smit, B, Van Der Horst, GT, Takao, M, Yasui, A

Commensurate freezing of hydrocarbons in silicalite. (1997)

Wolthuizen, J.P., Smit, B., Santen, R.A. Van

Project Kwaliteitsnetwerken van lerarenopleidingen en scholen: verslag begeleidend onderzoek. (1997)

Koster, B., Severiens, S.E., Smit, B.

Commensurate freezing of hydrocarbons in silicalite (1997)

Wolthuizen, J.P., Smit, B., Santen, R.A.

Simulation of adsorption and diffusion of hydrocarbons in zeolites. (1997)

Understanding Molecular Simulations: Simulating Phase Coexistence (1997)

Configurational-bias Monte Carlo calculations of n-alkane sorption in zeolites RHO and FER. (1997)

Bates, S.P., Santen, R.A., Smit, B.

Simulation of phase coexistence for complex molecules (1997)

Configurational-Bias Monte Carlo (CB-MC) calculations of n-alkane sorption in zeolites RHO and FER (1997)

Bates, SP, Well, WJM Van, Santen, RA Van, Smit, B

Commensurate freezing of hydrocarbons in silicalite (1997)

Well, WJM Van, Wolthuizen, JP, Smit, B, Hooff, JHC Van, Santen, RA Van

Associating lattice fluids near hard and interacting walls (1997)

Janssen, RHC, Nies, ELF, Smit, B

Associating lattice fluids near hard and interacting walls (1996)

Smit, B

Cubic lattice models of dimerizing and polymerizing fluids have been studied within Wertheim's Ornstein-Zernike (OZ) matrix formalism to assess the adsorption behavior of such fluids at impenetrable,...

Onderzoek project `Kwaliteitsnetwerken'. Tussenrapportage I (1996)

Koster, B., Schellings, G.L.M., Smit, B.

Associating lattice fluids near hard and interacting walls. (1996)

Jansen, R.H.C., Nies, E., Smit, B.

Le ballet moléculaire de l'huile et du savon. (1996)

Karaborni, S., Esselink, K., Smit, B.

Computational physics in industry. (1996)

Molecular simulations of adsorption: from argon to long-chain paraffins. (1996)

The swelling of clays: molecular simulations of the hydration of montmorillonite. (1996)

Karaborni, S., Smit, B., Heidug, W., Urai, J., Oort, E. Van

Molecular simulations of fluid phase equilibria. (1996)

Energetics of n-alkanes in zeolites: a configurational-bias Monte Carlo investigation into pore size dependence. (1996)

Bates , S.P., Santen, R.A. Van, Smit, B.

Computational physics in industry. (1996)

Computer simulations of surfactant structures. (1996)

Karaborni, S., Smit, B.

Solid-solid and liquid-solid phase equilibria for the restricted primitive model. (1996)

Smit, B., Esselink, K., Frenkel, D.

Location and conformation of n-alkanes in zeolites: An analysis of configurational-bias Monte Carlo calculations. (1996)

Bates, S.P., Santen, R.A. Van, Smit, B.

Onderzoeksproject "Kwaliteitsnetwerken". Tussenrapportage UU, UvA, RUL. (1996)

Koster, B., Schellings, G.L.M., Smit, B.

Solid-solid and liquid-solid phase equilibria for the restricted primitive model (1996)

Smit, B., Esselink, K., Frenkel, D.

A Monte Carlo simulation study is made of the phase diagram of the restricted primitive model and of the solid-liquid and solid-solid phase coexistence curves in particular. At low temperatures,...

Location and conformation of n-alkanes in zeolites : an analysis of configurational-bias Monte Carlo calculations (1996)

Bates, SP, Well, WJM Van, Santen, RA Van, Smit, B

Energetics of n-alkanes in zeolites : a configurational-bias Monte Carlo investigation into pore size dependence (1996)

Bates, SP, Well, WJM Van, Santen, RA Van, Smit, B

Cloning, comparative mapping, and RNA expression of the mouse homologues of the Saccharomyces cerevisiae nucleotide excision repair gene RAD23. (1996)

Visser, C.E., Hanaoka, F., Smit, B., Hagemeijer, A., Bootsma, D., ...

The Saccharomyces cerevisiae RAD23 gene is involved in nucleotide excision repair (NER). Two human homologs of RAD23, HHR23A and HHR23B (HGMW-approved symbols RAD23A and RAD23B), were previously...

Human and mouse homologs of the Saccharomyces cerevisiae RAD54 DNA repair gene: evidence for functional conservation. (1996)

Kanaar, R., Troelstra, C., Swagemakers, S.M.A., Essers, J., Smit, B., Franssen, J.H., ...

BACKGROUND: Homologous recombination is of eminent importance both in germ cells, to generate genetic diversity during meiosis, and in somatic cells, to safeguard DNA from genotoxic damage. The...

Sequence conservation of the rad21 Schizosaccharomyces pombe DNA double-strand break repair gene in human and mouse. (1996)

McKay, M.J., Troelstra, C., Kanaar, R., Smit, B., Hagemeijer, A., ...

The rad21 gene of Schizosaccharomyces pombe is involved in the repair of ionizing radiation-induced DNA double-strand breaks. The isolation of mouse and human putative homologs of rad21 is reported...

Understanding molecular simulation : from algorithms to applications (1996)

Parallel Monte Carlo simulations. (1995)

This book explains the physics behind the "recipes" of molecular simulation for materials science. Computer simulators are continuously confronted with questions concerning the choice of a particular...

Esselink, K., Smit, B.

Simulating complex fluids. (1995)

Esselink, K., Hilbers, S., Karaborni, P.A.J., Siepmann, J.I., Smit, B.

Kommensurate Einfrieren von n-Alkanen im Silicalit. (1995)

Wolthuizen, J.P., Smit, B., Santen, R.A. Van

Commensurate freezing of n-alkanes in silicalite. (1995)

Wolthuizen, J.P., Smit, B., Santen, R.A. Van

Molecular simulations of thermodynamic properties: from argon to long-chain paraffins. (1995)

Computer simulations of vapour-liquid phase equilibria of n-alkanes. (1995)

Smit, B., Karaborni, S., Siepmann, J.I.

Parallel Gibbs-ensemble simulations. (1995)

Smit, B., Esselink, K.

The condition of microscopic reversibility in the Gibbs-ensemble Monte Carlo simulations of phase equilibria. (1995)

Rull, L.F., Jackson, G., Smit, B.

Grand-canonical Monte Carlo simulations of chain molecules: Adsorption isotherms of alkanes in zeolites. (1995)

Molecular simulations of the vapour-liquid coexistence curve of methanol. (1995)

Leeuwen, M.E. Van, Smit, B.

Simulating the adsorption isotherms of methane, ethane, and propane in the zeolite silicalite. (1995)

Commensurate freezing of n-Alkanes in silicalite (1995)

Well, WJM Van, Wolthuizen, JP, Smit, B, Hooff, JHC Van, Santen, RA Van

Models of micelle formation. (1994)

Os, N.M. Van, Smit, B., Karaborni, S.

Free energies and phase equilibria of chain molecules. (1994)

Smit, B., Karaborni, S., Siepmann, J.I.

Simulating the adsorption of alkanes in zeolites. (1994)

Smit, B., Siepmann, J.I.

Simulating the self-assembly of (dimeric) gemini surfactants. (1994)

Karaborni, S., Esselink, K., Hilbers, P.A.J., Smit, B., Karthäuser, J., Os, N.M. Van, ...

Simulating surfactant self-assembly. (1994)

Karaborni, S., Esselink, K., Hilbers, P.A.J., Smit, B.

Molecular dynamics simulations of model oil/water/surfactant systems. (1994)

Esselink, K., Hilbers, P.A.J., Os, N.M. Van, Smit, B., Karaborni, S.

Computer simulations of the energetics and siting of n-alkanes in zeolites. (1994)

Smit, B., Siepmann, J.I.

Surfactant adsorption at liquid/liquid interfaces. Comparison of experimental results with self-consistent field lattice calculations and molecular dynamics simulations. (1993)

Rupert, L.A.M., Smit, B., Hilbers, P.A.J., Esselink, K., Bohmer, M.R., ...

Simulating the critical properties of complex fluids. (1993)

Siepmann, J.I., Karaborni, S., Smit, B.

Computer simulations of simple oil/water/surfactant systems (1993)

Smit, B., Hilbers, P.A.J., Esselink, K.

Vapor-liquid equilibria of model alkanes. (1993)

Siepmann, J.I., Karaborni, S., Smit, B.

Computer simulations of surfactant self assembly. (1993)

Smit, B., Hilbers, P.A.J., Esselink, K.

Computer simulations in the Gibbs ensemble. (1993)

Computer simulations of surfactants. (1993)

Efficient parallel implementation of molecular dynamics on a toroidal network: Part I Parallelizing Strategy. (1993)

Esselink, K., Smit, B., Hilbers, P.A.J.

Computer simulations of surfactant self-assembly. (1993)

Smit, B., Esselink, K., Hilbers, P.A.J., Os, N.M. Van, Szleifer, I.

Surfactant adsorption at liquid/liquid interfaces: comparison of experimental results with SCF calculations and molecular dynamics simulations. (1993)

Os, N.M. Van, Rupert, L.A.M., Smit, B., Hilbers, P.A.J., Esselink, K., Bohmer, M.R., ...

What makes a polar fluid a liquid ? (1993)

Leeuwen, M.E. Van, Smit, B.

Vapour-liquid equilibria of Stockmayer fluids: computer simulations and perturbation theory. (1993)

Leeuwen, M.E. Van, Smit, B., Hendriks, E.M.

Direct simulation of phase equilibria of chain molecules. (1992)

Computer simulations of surfactants at a liquid/liquid interface. (1992)

Smit, B., Hilbers, P.A.J., Esselink, K.

Comment on ``Determination of the chemical potential of polymeric systems from Monte Carlo simulations'' (1992)

A simple theory of weakly inhomogeneous fluids. (1992)

Schlijper , A.G., Smit, B.

Phase diagrams of Lennard-Jones fluids. (1992)

Molecular dynamics studies of polar/nonpolar fluid mixtures. II. Mixtures of Stockmayer and polarizable Lennard-Jones fluids. (1992)

Leeuw, S.W. De, Smit, B., Williams, C.P.

Unexpected length dependence of the solubility of chain molecules. (1992)

Effect of a density-dependent potential on the phase behavior of fluids. (1992)

Smit, B., Hauschild, T., Prausnitz, J.M.

Surfactants can be modelled: dynamical processes in micelles reproduced. (1992)

Electrostatic analogy for surfactant assemblies. (1992)

Wu, D, Smit, B.

Unexpected length dependence of the solubility of chain molecules (1992)

Novel scheme to study structural and thermal properties of continuously deformable molecules (1992)

We report numerical simulations of the chemical potential of a freely jointed chain molecule in a solvent of monomers, using a novel scheme to compute the chemical potential of arbritrary chain...

Direct simulation of phase equilibria of chain molecules (1992)

In this anicle we present a method for alculating the chemical potential of arbitrary chain molecules in a mmpuier simulation. The method is based on a generalization of Siepmann's method tor...

Comment on ‘‘Determination of the chemical potential of polymeric systems from Monte Carlo simulations’’ (1992)

The authors show how to combine a novel Monte Carlo scheme to sample conformations of chain molecules with the Gibbs-ensemble method to simulate fluid-fluid phase coexistence. This approach allows...

Novel scheme to study structural and thermal properties of continuously deformable molecules. (1991)

A Comment on the Letter by S. K. Kumar, I. Szleiser, and A. Z. Panagiotopoulos Phys. Rev. Lett. 66, 2935 (1991).

Vapour-liquid equilibria of the two dimensional Lennard-Jones fluid(s). (1991)

Structure of a water/oil interface in the presence of micelles: a computer simulation study. (1991)

Smit, B., Hilbers, P.A.J., Esselink, K., Rupert, L.A.M., Os, N.M. Van, Schlijper, A.G.

Vapour-liquid equilibria of the hard-core Yukawa fluid. (1991)

The mobility of adsorbed species in zeolites: Methane, ethane and propane diffusivities. (1991)

Nowak, A.K., Pickett, S.D., Smit, B., Cheetham, A.K., Post, M.F.M., ...

Introduction to Zeolite Theory and Modelling (1991)

Santen, R.A. Van, Bruyn, D.P. De, Smit, B.

Introduction to zeolite theory and modeling (1991)

Santen, RA Van, Bruyn, DP De, Ouden, CJJ Den, Smit, B

Vapor–liquid equilibria of the two-dimensional Lennard-Jones fluid(s) (1991)

Vapour-liquid equilibria of the hard core Yukawa fluid (1991)

Monte Carlo simulations in the Gibbs ensemble are presented for the two-dimensional Lennard-Jones fluids. We have considered the full Lennard-Jones potential and the truncated (at 2.5) and shifted...

Local states method for the calculation of free energies in Monte Carlo simulations of lattice models. (1990)

Techniques which extend the range of applicability of the Gibbs ensemble technique for particles which interact with a hard core potential are described. The power of the new technique is...

Schlijper, A.G., Smit, B.

Mobility of adsorbed species in zeolites: A molecular dynamics simulation of xenon in silicalite. (1990)

Pickett, S.D., Nowak, A.K., Thomas, J.M., Peterson, B.K., Swift, J.F., Cheetham, A.K., ...

Vapour-liquid equilibria for quadrupolar Lennard-Jones fluids. (1990)

Smit, B., Williams, C.P.

Effects of chain length of surfactants on the interfacial tension: Molecular dynamics simulations and experiments. (1990)

Smit, B., Schlijper, A.G., Rupert, L.A.M., Os, N.M. Van

The structure of the water/oil interface in the presence of micelles. (1990)

Smit, B., Hilbers, P.A.J., Esselink, K., Rupert, L.A.M., Os, N.M. Van, Schlijper, A.G.

Fluid-fluid phase separation in a Repulsive $alpha$-$exp$-6 mixture: a comparison with the full $alpha$-$exp$-6 mixture by means of computer simulations (1990)

Kuiper, A. De, Smit, B., Schouten, J.A., Michels, J.P.J.

Free energy computations of mixtures of Stockmayer and polerizable Lennard-Jones fluids. (1990)

Mooij, G., Leeuw, S.W. De, Williams, C.P., Smit, B.

Two-sided bound on the free energy from local states in Monte Carlo simulations. (1989)

A.G. Schlijper , A.G., Smit, B.

Computer simulations in zeolite catalysis research. (1989)

Smit, B., Wielers, A.F.H., Jackson, R.A., Nowak, A.K.

Calculation of the chemical potential in the Gibbs ensemble. (1989)

Computer simulations in the Gibbs ensemble (1989)

Smit, B., Smedt, Ph. De, Frenkel, D.

Vapour-liquid equilibria for Stockmayer fluids. (1989)

Smit, B., Williams, C.P., Hendriks, E.M., Leeuw, S.W. De

Monte-Carlo-simulaties van de adsorptie vam methaan in zeolieten. (1989)

The influence of the quality of the solvent on the properties of a polymer. (A thermodynamic model and molecular dynamics calculations). (1989)

Smit, B., Cox, K.R., Michels, J.P.J.

Explicit expression for finite size corrections to the chemical potential. (1989)

Local compositions and thermodynamics of polar/non-polar mixtures. (1989)

Leeuw, S.W. De, Williams, C.P., Smit, B.

Calculation of the chemical potential in the Gibbs ensemble (1989)

Computer simulations in the Gibbs ensemble (1989)

An expression for the chemical potential in the Gibbs ensemble is derived. For finite system sizes this expression for the chemical potential differs system-atically from Widom's test particle...

Smit, B., Smedt, Ph. De, Frenkel, D.

In this article we demonstrate that the Gibbs ensemble and the canonical ensemble are equivalent in the thermodynamic limit. Furthermore, we discuss some interesting aspects of the method when...

An explicit expression for finite-size corrections to the chemical potential (1989)

Cellular Processes Limiting Leaf Growth in Plants under Hypoxic Root Stress (1989)

In this article an expression is derived for the finite-size corrections to the excess chemical potential in an N-particle system with periodic boundary conditions. The leading N-dependence of the...

SMIT, B., STACHOWIAK, M., VOLKENBURGH, E. VAN

The effects of root hypoxia on leaf growth of a Populus trichocarpa � deltoides hybrid have been assessed. Clonal plants were subjected to hypoxic root conditions in pot culture by flooding and in...

Evidence of phase separation in mixture of Lennard-Jones and Stockmayer fluids (1988)

Leeuw, S.W. De, Williams, C.P., Smit, B.

Monte Carlo simulations on the relation between the structure and properties of zeolites: The adsorption of small hydrocarbons. (1988)

A new approach for calculating the accessible volume in equations of state for mixtures II. (Application to Lennard-Jones mixtures) (1988)

Smit, B., Cox, K.R.

A new approach for calculating the accessible volume in equations of state for mixtures I. (Theory and implementation in the van der Waals equation of state). (1988)

Smit, B., Cox, K.R.

Molecular dynamics simulations of amphiphilic molecules at a liquid-liquid interface (1988)

The influence of solvent quality on the static properties of a linear polymer: a molecular dynamics study. (1988)

Smit, B., Put, A. Van Der, Peters, C.J., Swaan Arons, J. De, Michels, J.P.J.

The influence of the density of the solvent on the static and dynamic properties of star polymers (1988)

Smit, B., Put, A. Van Der, Peters, C.J., Swaan Arons, J. De, Michels, J.P.J.

Characterization of photolyase/blue-light receptor homologs in mouse and human cells.

Kobayashi, K, Kanno, S, Smit, B, Van Der Horst, G T, Takao, M, Yasui, A

We isolated and characterized mouse photolyase-like genes, mCRY1 (mPHLL1) and mCRY2 (mPHLL2), which belong to the photolyase family including plant blue-light receptors. The mCRY1 and mCRY2 genes are...

Molecular path control in zeolite membranes

Characterization of photolyase/blue-light receptor homologs in mouse and human cells.

We report molecular simulations of diffusion in confinement showing a phenomenon that we denote as molecular path control (MPC); depending on loading, molecules follow a preferred pathway. MPC raises...

Kobayashi, K, Kanno, S, Smit, B, Van Der Horst, G T, Takao, M, Yasui, A

We isolated and characterized mouse photolyase-like genes, mCRY1 (mPHLL1) and mCRY2 (mPHLL2), which belong to the photolyase family including plant blue-light receptors. The mCRY1 and mCRY2 genes are...

Molecular path control in zeolite membranes