Prof. dr. Peter Bolhuis

Van 't Hoff Institute for Molecular Sciences
University of Amsterdam
Science Park 904
PO Box 94157
1090 GD Amsterdam, The Netherlands

room: C2.222
phone: (+31) 20 525 6447
p.g.bolhuis (at) uva.nl

• Research Interests
• Publications
• Curriculum Vitae
• TPS Tutorial

Publications

2018

Rodenburg, J., Paliwal, S., de Jager, M., Bolhuis, P. G., Dijkstra, M., and van Roij, R. (2018). Ratchet-induced variations in bulk states of an active ideal gas. Journal of Chemical Physics, 149(17). DOI: 10.1063/1.5048698

Bolhuis, P. G., and Csanyi, G. (2018). Nested Transition Path Sampling. Physical Review Letters, 120(25). DOI: 10.1103/PhysRevLett.120.250601

Vijaykumar, A., ten Wolde, P. R., and Bolhuis, P. G. (2018). Rate constants for proteins binding to substrates with multiple binding sites using a generalized forward flux sampling expression. Journal of Chemical Physics, 148(12). DOI: 10.1063/1.5012854

Brotzakis, Z. F., Voets, I. K., Bakker, H. J., and Bolhuis, P. G. (2018). Water structure and dynamics in the hydration layer of a type III anti-freeze protein. Physical Chemistry Chemical Physics, 20(10), 6996-7006. DOI: 10.1039/c8cp00170g

Vijaykumar, A., ten Wolde, P. R., and Bolhuis, P. G. (2018). Generalised expressions for the association and dissociation rate constants of molecules with multiple binding sites. Molecular Physics, 116(21-22, SI), 3042-3054. DOI: 10.1080/00268976.2018.1473653

Michaels, T. C. T., Liu, L. X., Curk, S., Bolhuis, P. G., Saric, A., and Knowles, T. P. J. (2018). Reaction rate theory for supramolecular kinetics: application to protein aggregation. Molecular Physics, 116(21-22, SI), 3055-3065. DOI: 10.1080/00268976.2018.1474280

2017

Vijaykumar, A., ten Wolde, P. R., and Bolhuis, P. G. (2017). The magnitude of the intrinsic rate constant: How deep can association reactions be in the diffusion limited regime? Journal of Chemical Physics, 147(18), [184108]. DOI: 10.1063/1.5009547

Nguyen, T. A., Newton, A., Kraft, D. J., Bolhuis, P. G., and Schall, P. (2017). Tuning patchy bonds induced by critical Casimir forces. Materials, 10(11), [1265]. DOI: 10.3390/ma10111265

Newton, A. C., Kools, R., Swenson, D. W. H., and Bolhuis, P. G. (2017). The opposing effects of isotropic and anisotropic attraction on association kinetics of proteins and colloids. Journal of Chemical Physics, 147(15), [155101]. DOI: 10.1063/1.5006485

Cabriolu, R., Refsnes, K. M. S., Bolhuis, P. G., and van Erp, T. S. (2017). Foundations and latest advances in replica exchange transition interface sampling. Journal of Chemical Physics, 147(15), [152722]. DOI: 10.1063/1.4989844

Nguyen, T. A., Newton, A., Veen, S. J., Kraft, D. J., Bolhuis, P. G., and Schall, P. (2017). Switching Colloidal Superstructures by Critical Casimir Forces. Advanced materials, 29(34), [1700819]. DOI: 10.1002/adma.201700819

Brotzakis, Z. F., Gehre, M., Voets, I. K., and Bolhuis, P. G. (2017). Stability and growth mechanism of self-assembling putative antifreeze cyclic peptides. Physical Chemistry Chemical Physics, 19(29), 19032-19042. DOI: 10.1039/c7cp02465g

Newton, A. C., Groenewold, J., Kegel, W. K., and Bolhuis, P. G. (2017). The role of multivalency in the association kinetics of patchy particle complexes. Journal of Chemical Physics, 146(23), [234901]. DOI: 10.1063/1.4984966

Smit, F. X., Luiken, J. A., and Bolhuis, P. G. (2017). Primary Fibril Nucleation of Aggregation Prone Tau Fragments PHF6 and PHF6*. The journal of Physical Chemistry. B, 121(15), 3250-3261. DOI: 10.1021/acs.jpcb.6b07045

Vijaykumar, A., Ouldridge, T. E., ten Wolde, P. R., and Bolhuis, P. G. (2017). Multiscale simulations of anisotropic particles combining molecular dynamics and Green's function reaction dynamics. Journal of Chemical Physics, 146(11), [114106]. DOI: 10.1063/1.4977515

Newton, A. C., Nguyen, T. A., Veen, S. J., Kraft, D. J., Schall, P., and Bolhuis, P. G. (2017). Modelling critical Casimir force induced self-assembly experiments on patchy colloidal dumbbells. Soft Matter, 13(28), 4903-4915. DOI: 10.1039/c7sm00668c

2016

Brotzakis, Z. F., and Bolhuis, P. G. (2016). A one-way shooting algorithm for transition path sampling of asymmetric barriers. Journal of Chemical Physics, 145(16), [164112]. DOI: 10.1063/1.4965882

Evers, C. H. J., Luiken, J. A., Bolhuis, P. G., and Kegel, W. K. (2016). Self-assembly of microcapsules via colloidal bond hybridization and anisotropy. Nature, 534(7607), 364-+. DOI: 10.1038/nature17956

Brotzakis, Z. F., Groot, C. C. M., Brandeburgo, W. H., Bakker, H. J., and Bolhuis, P. (2016). Dynamics of Hydration Water around Native and Misfolded alpha-Lactalbumin. The journal of Physical Chemistry. B, 120(21), 4756-4766. DOI: 10.1021/acs.jpcb.6b02592

Kumar, A., Lowe, C. P., Cohen Stuart, M. A., and Bolhuis, P. G. (2016). Trigger sequence can influence final morphology in the self-assembly of asymmetric telechelic polymers. Soft Matter, 12(7), 2095-2107. DOI: 10.1039/c5sm01453k

2015

Bolhuis, P. G., and Dellago, C. (2015). Practical and conceptual path sampling issues. The European Physical Journal - Special Topics, 224(12), 2409-2427. DOI: 10.1140/epjst/e2015-02419-6

Du, W., and Bolhuis, P. G. (2015). Equilibrium Kinetic Network of the Villin Headpiece in Implicit Solvent. Biophysical Journal, 108(2), 368-378. DOI: 10.1016/j.bpj.2014.11.3476

Luiken, J. A., and Bolhuis, P. G. (2015). Prediction of a stable associated liquid of short amyloidogenic peptides. Physical Chemistry Chemical Physics, 17(16), 10556-10567. DOI: 10.1039/c5cp00284b

Luiken, J. A., and Bolhuis, P. G. (2015). Primary Nucleation Kinetics of Short Fibril-Forming Amyloidogenic Peptides. The journal of Physical Chemistry. B, 119(39), 12568-12579. DOI: 10.1021/acs.jpcb.5b05799

Newton, A. C., Groenewold, J., Kegel, W. K., and Bolhuis, P. G. (2015). Rotational diffusion affects the dynamical self-assembly pathways of patchy particles. Proceedings of the National Academy of Sciences of the United States of America, 112(50), 15308-15313. DOI: 10.1073/pnas.1513210112

Ni, R., Cohen Stuart, M. A., and Bolhuis, P. G. (2015). Tunable Long Range Forces Mediated by Self-Propelled Colloidal Hard Spheres. Physical Review Letters, 114(1), [018302]. DOI: 10.1103/PhysRevLett.114.018302

Ni, R., Kleijn, J. M., Abeln, S., Cohen Stuart, M. A., and Bolhuis, P. G. (2015). Competition between surface adsorption and folding of fibril-forming polypeptides. Physical Review E, 91(2), 022711. DOI: 10.1103/PhysRevE.91.022711

Singhal, K., Vreede, J., Mashaghi, A., Tans, S. J., and Bolhuis, P. (2015). The Trigger Factor chaperone encapsulates and stabilizes partial folds of substrate proteins. PLoS Computational Biology, 11(10), [e1004444]. DOI: 10.1371/journal.pcbi.1004444

Zeiler, R. N. W., and Bolhuis, P. G. (2015). Exposure of thiol groups in the heat-induced denaturation of β-lactoglobulin. Molecular Simulation, 41(10-12), 1006-1014. DOI: 10.1080/08927022.2014.926547

2014

Du, W., and Bolhuis, P. G. (2014). Sampling the equilibrium kinetic network of Trp-cage in explicit solvent. Journal of Chemical Physics, 140(19), 195102. DOI: 10.1063/1.4874299

Mani, E., Lechner, W., Kegel, W. K., and Bolhuis, P. G. (2014). Equilibrium and non-equilibrium cluster phases in colloids with competing interactions. Soft Matter, 10(25), 4479-4486. DOI: 10.1039/c3sm53058b

Ni, R., Cohen Stuart, M. A., Dijkstra, M., and Bolhuis, P. G. (2014). Crystallizing hard-sphere glasses by doping with active particles. Soft Matter, 10(35), 6609-6613. DOI: 10.1039/c4sm01015a

Swenson, D. W. H., and Bolhuis, P. G. (2014). A replica exchange transition interface sampling method with multiple interface sets for investigating networks of rare events. Journal of Chemical Physics, 141(4), 044101. DOI: 10.1063/1.4890037

2013

Dang, M. T., Vila Verde, A. C., Nguyen, V. D., Bolhuis, P. G., and Schall, P. (2013). Temperature-sensitive colloidal phase behavior induced by critical Casimir forces. Journal of Chemical Physics, 139(9), 094903. DOI: 10.1063/1.4819896

Du, W., and Bolhuis, P. G. (2013). Adaptive single replica multiple state transition interface sampling. Journal of Chemical Physics, 139(4), 044105. DOI: 10.1063/1.4813777

Luiken, J. A., and Bolhuis, P. G. (2013). Anisotropic aggregation in a simple model of isotropically polymer-coated nanoparticles. Physical Review E, 88(1), 012303. DOI: 10.1103/PhysRevE.88.012303

Meuzelaar, H., Marino, K. A., Huerta-Viga, A., Panman, M. R., Smeenk, L. E. J., Kettelarij, A. J., ... Woutersen, S. (2013). Folding Dynamics of the Trp-Cage Miniprotein: Evidence for a Native-Like Intermediate from Combined Time-Resolved Vibrational Spectroscopy and Molecular Dynamics Simulations. The journal of Physical Chemistry. B, 117(39), 11490-11501. DOI: 10.1021/jp404714c

Ni, R., Abeln, S., Schor, M., Cohen Stuart, M. A., and Bolhuis, P. G. (2013). Interplay between Folding and Assembly of Fibril-Forming Polypeptides. Physical Review Letters, 111(5). DOI: 10.1103/PhysRevLett.111.058101

Singhal, K., Vreede, J., Mashaghi, A., Tans, S. J., and Bolhuis, P. G. (2013). Hydrophobic Collapse of Trigger Factor Monomer in Solution. PLoS One, 8(4), e59683. DOI: 10.1371/journal.pone.0059683

Zhu, L., Bolhuis, P. G., and Vreede, J. (2013). The HAMP Signal Relay Domain Adopts Multiple Conformational States through Collective Piston and Tilt Motions. PLoS Computational Biology, 9(2), e1002913. DOI: 10.1371/journal.pcbi.1002913

Peters, B., Bolhuis, P. G., Mullen, R. G., and Shea, J. E. (2013). Reaction coordinates, one-dimensional Smoluchowski equations, and a test for dynamical self-consistency. Journal of Chemical Physics, 138(5), 054106. DOI: 10.1063/1.4775807

2012

Juraszek, J., Vreede, J., and Bolhuis, P. G. (2012). Transition path sampling of protein conformational changes. Chemical Physics, 396, 30-44. DOI: 10.1016/j.chemphys.2011.04.032

Marino, K. A., and Bolhuis, P. G. (2012). Confinement-Induced States in the Folding Landscape of the Trp-cage Miniprotein. The journal of Physical Chemistry. B, 116(39), 11872-11880. DOI: 10.1021/jp306727r

Schor, M., Vreede, J., and Bolhuis, P. G. (2012). Elucidating the locking mechanism of peptides onto growing amyloid fibrils through transition path sampling. Biophysical Journal, 103(6), 1296-1304. DOI: 10.1016/j.bpj.2012.07.056

Zeiler, R. N. W., and Bolhuis, P. G. (2012). Numerical study of the effect of thiol-disulfide exchange in the cluster phase of beta-lactoglobulin aggregation. Faraday Discussions, 158, 461-477. DOI: 10.1039/c2fd20030a

Vila Verde, A., Bolhuis, P. G., and Kramer Campen, R. (2012). Statics and dynamics of free and hydrogen-bonded OH groups at the air/water interface. The journal of Physical Chemistry. B, 116(31), 9467-9481. DOI: 10.1021/jp304151e

2011

On the Relation Between Projections of the Reweighted Path Ensemble
Peter G. Bolhuis and Wolfgang Lechner J. Stat. Phys. 145, 841-859 (2011)

Reaction coordinates for the crystal nucleation of colloidal suspensions extracted from the reweighted path ensemble
Wolfgang Lechner; Christoph Dellago; Peter G.Bolhuis
J. Chem.. Phys. 135, 154110 (2011).

Multiple state transition interface sampling of alanine dipeptide in explicit solvent
Wei-Na Du ; Kristen A. Marino; Peter G Bolhuis.
J. Chem.. Phys. 135, 145102 (2011).

Ultrafast Reorientation of Dangling OH Groups at the Air-Water Interface Using Femtosecond Vibrational Spectroscopy
Cho-Shuen Hsieh; R. Kramer Campen; Ana Celia Vila Verde ; P.G. Bolhuis; Han-Kwang Nienhuys, Mischa Bonn
Phys. Rev. Lett. 107, 116102 (2011)

Role of Fluctuations in Ligand Binding Cooperativity of Membrane Receptors
Lizhe Zhu; Daan Frenkel; Peter G. Bolhuis
Phys. Rev. Lett. 106, 168103 (2011)

Role of the Prestructured Surface Cloud in Crystal Nucleation
Wolfgang Lechner; Christoph Dellago; Peter G.Bolhuis
Phys. Rev. Lett. 106, 085701 (2011)

Multiscale modelling
Lucas Visscher; Peter G. Bolhuis; F. Matthias Bickelhaupt
Phys. Chem. Chem. Phys. 13, 10399-10400 (2011).

The self-assembly mechanism of fibril-forming silk-based block copolymers
Marieke Schor;Peter G. Bolhuis
Phys. Chem. Chem. Phys. 13, 10457-10467 (2011).

2010

Nonlinear reaction coordinate analysis in the reweighted path ensemble
Wolfgang Lechner; Jutta Rogal; Jarek Juraszek, Bernd Ensing; Peter Bolhuis
J. Chem.. Phys. 133, 174110 (2010).

The reweighted path ensemble
Jutta Rogal; Wolfgang Lechner; Jarek Juraszek, Bernd Ensing; Peter Bolhuis
J. Chem.. Phys. 133, 174110 (2010).

The influence of micelle formation on the stability of colloid surfactant mixtures
René Pool and Peter G. Bolhuis
Phys. Chem. Chem. Phys. 44, 14789-14797 (2010).

On the efficiency of biased sampling of the multiple state path ensemble
Jutta Rogal and Peter G. Bolhuis
J. Chem. Phys. 133, 034101 (2010).

Stabilization of Nanoparticle Shells by Competing Interactions
Ethayaraja Mani, Eduardo Sanz, Peter Bolhuis, and Willem Kegel
J. Phys. Chem. C114, 7780-7786(2010).

(Un)Folding Mechanisms of the FBP28 WW Domain in Explicit Solvent Revealed by Multiple Rare Event Simulation Methods i
Jarek Juraszek and Peter Bolhuis
Biophys. J.98, 646-656 (2010).

Predicting the reaction coordinates of millisecond light-induced conformational changes in photoactive yellow protein
J. Vreede J, J. Juraszek and P.G. Bolhuis Proc. Nat. Acad. Sci. USA 107 6 2397-2402 (2010)

A simple coarse-grained model for self-assembling silk-like protein fibers
M. Schor, B. Ensing, and P.G Bolhuis, Faraday Discuss.144 , 127-141 (2010)

2009

Effects of a Mutation on the Folding Mechanism of beta-Hairpin
J. Juraszek and P.G. Bolhuis J. Chem. Phys. B. 113 16184-16196 (2009)

Prediction of solvent dependent beta-roll formation of a self-assembling silk-like protein domain
M. Schor, A.A. Martens, F.A De Wolf, M.A. Cohen Stuart, Soft Matter 5, 2658-2665 (2009)

Reordering Hydrogen Bonds Using Hamiltonian Replica Exchange Enhances Sampling of Conformational Changes in Biomolecular Systems
J. Vreede, M.G. Wolf S.W. de Leeuw and P.G. Bolhuis, J. Phys Chem B 113 6484-6494 (2009)

Transition Path Sampling and Other Advanced Simulation Techniques for Rare Events
C. Dellago and P.G. Bolhuis, Adv. Pol. Science, 221, 167-233 (2009)

Two-state protein folding kinetics through all-atom molecular dynamics based sampling
P.G. Bolhuis, Frontiers in Bioscience, 14, 2801-2828 (2009)

2008

Multiple state transition path sampling,
J. Rogal and P.G. Bolhuis, J.Chem. Phys. 129, 224107 (2008)

Rate constants and reaction coordinate of Trp-cage folding in explicit water,
J. Juraszek and P.G. Bolhuis ,Biophys. J., 95, 4246 (2008)

Rare events via multiple reaction channels sampled by path replica exchange
P.G. Bolhuis, J. Chem. Phys. 129 114108 (2008)

Helix formation is a dynamical bottleneck in the recovery reaction of Photoactive Yellow Protein
J.Vreede, K. J. Hellingwerf, P.G. Bolhuis, Helix formation is a dynamical bottleneck in the recovery reaction of Photoactive Yellow Protein, Proteins: Struct. Funct. Bioinf., 72 136-149 (2008).

Microscopic picture of the aqueous solvation of glutamic acid
E.J.M. Leenders, P.G. Bolhuis and E.J. Meijer, J. Chem. Theory Comp 4 898 (2008).

Phase transition to bundles of flexible supramolecular polymers.
B.A.H. Huisman, P.G. Bolhuis and A. Fasolino, Phys. Rev. Lett 100, 188301 (2008).

Effect of excluded volume interactions on the interfacial properties of colloid-polymer mixtures.
A. Fortini, P.G. Bolhuis and M. Dijkstra, J. Chem. Phys. 128 024904 (2008).

2007

Solvation of p- courmaric acid in water
E.J.M. Leenders, J. vandeVondele, P.G. Bolhuis and E.J. Meijer, , J. Phys. Chem. B, 111, 13591 (2007).

Sampling the kinetic pathways of a micelle fusion and fission transition,
R. Pool and P.G. Bolhuis, J. Chem. Phys. 126, 244703 (2007)

Protonation of the chromophore in the photoactive yellow protein,
E.J.M. Leenders, L. Guidoni, U. Röthlisberger, J. Vreede, P.G. Bolhuis, and E.J. Meijer, J. Phys. Chem. B, 111,3765 (2007)

Transition Path Sampling Simulations of Biological Systems
Christoph Dellago and Peter G. Bolhuis, in "Atomistic Approaches in Modern Biology: From Quantum Chemistry to Molecular Simulations", Topics in Current Chemistry, Volume 268, 291-317 (Springer, Berlin/Heidelberg, 2007) Erratum

2006

Sampling Kinetic Protein Folding Pathways using All-Atom Models
P.G. Bolhuis:,in "Computer Simulation in Condensed Mater: from Materials to Chemical Biology" Lect. Notes Phys. 703, 393-433 ( Springer-Verlag, Berlin/Heidelberg, 2006)

Transition Path Sampling Methods
C. Dellago P.G. Bolhuis, and P. Geissler, in "Computer Simulation in Condensed Mater: from Materials to Chemical Biology", Lect. Notes Phys. 703, 349-391 (Springer-Verlag, Berlin/Heidelberg, 2006)

Sampling the multiple folding mechanisms of Trp-cage in explicit solvent.
J. Juraszek and P.G. Bolhuis, Proc. Natl. Acad. Sci. USA 103, 15859 (2006)

Prediction of an Autocatalytic Replication Mechanism for Micelle Formation
R. Pool and P.G. Bolhuis, Phys. Rev. Lett. 97, 018302 (2006)

Can purely repulsive soft potential predict micelle formation correctly?
R. Pool and P.G. Bolhuis, Phys. Chem. Chem. Phys, 8, 941-948 (2006)

Hysteresis in clay swelling induced by hydrogen bonding: accurate prediction of swelling states
T.J. Tambach, P.G. Bolhuis, E. J.M. Hensen and B. Smit, Langmuir 22, 1223-1234 (2006)

2005

The interplay between size and structure in the critical nucleus
D. Moroni, P.R. ten Wolde and P.G. Bolhuis, Phys. Rev. Lett, 94, 235703(2005)

Simultanous computation of free energy and kinetics of rare events
D. Moroni, T.S. van Erp and P.G. Bolhuis, Phys. Rev. E 71, 056709 (2005)

Predicting the signalling state of Photoactive Yellow Protein
J. Vreede, W. Crielaard, K.J. Hellingwerf, and P.G. Bolhuis, Biophys. J. 88,3525-3535 (2005)

Accurate free energies of micelle formation
R. Pool and P.G. Bolhuis, J. Phys. Chem. B, 109, (14), 6650 -6657, (2005)

Kinetic pathways of beta-hairpin (un)folding in explicit solvent
P.G. Bolhuis, Biophys J. 88, 50-61 (2005)

Elaborating transition interface sampling
T.S. van Erp and P.G. Bolhuis, J. Comp. Phys.205(1) 157-181 (2005)

2004

Activation energies from transition path sampling simulations
C. Dellago and P.G. Bolhuis, Mol. Sim. 30: 795-799 (2004)

Investigating rare events by transition interface sampling
D. Moroni, T.S. van Erp, and P.G. Bolhuis, Physica A 340 (1-3): 395-401 ( 2004)

A molecular mechanism of hysteresis in clay swelling
T.J. Tambach, P.G. Bolhuis and B. Smit, Angewandte Chemie 43 (20): 2650-2652 (2004)

Rate constants for diffusive processes by partial path sampling
D. Moroni, P.G. Bolhuis, T.S. van Erp TS, J. Chem. Phys. 120 (9): 4055-4065 (2004)

2003

The Asakura-Oosawa model in the protein limit: the role of many-body interactions
A. Moncho-Jorda, A.A. Louis, P.G. Bolhuis and R. Roth, J Phys-Cond. Mat. 15 (48): S3429-S3442 (2003)

Simulation and theory of fluid-fluid interfaces in binary mixtures of hard spheres and hard rods
P.G. Bolhuis, J.M. Brader, and M. Schmidt, J Phys-Cond Mat. 15 (48): S3421-S3428 (2003)

Transition-path sampling of beta hairpin folding
P.G. Bolhuis, Proc. Nat. Acad. Sci. USA 100: 12129-12134 (2003)

A novel path sampling method for thye calculation of rate constants
T.S. van Erp, D. Moroni and P.G. Bolhuis, J. Chem Phys. 118, pp 7762-7774, (2003)

Colloid--polymer mixtures in the protein limit
P.G. Bolhuis, E.J. Meijer and A. A. Louis, Phys. Rev. Lett. 90 (2003), 068304

Transtion Path Sampling on diffusive barriers
P.G. Bolhuis, J. Phys. Cond. Matt., 15 pp S113-S120, (2003)

2002

Influence of polymer excluded volume on the phase behavior of colloid--polymer mixtures
P.G. Bolhuis, A. A. Louis and J-P. Hansen, Phys. Rev. Lett. 89 128302 (2002)

Transtion Path Sampling
C.Dellago, P.G.Bolhuis and P.L. Geissler, Adv. Phys. Chem. 123: 1-78 (2002)

Polymer induced depletion potentials in polymer-colloid mixtures
A.A. Louis, P.G. Bolhuis, E.J. Meijer and J.P. Hansen, J. Chem. Phys. 117: 1893-1907 (2002)

Transtion Path Sampling: throwing ropes over dark mountain passes
P.G. Bolhuis, C.Dellago, P.L. Geissler, and D. Chandler, Annu. Rev. Chem. Phys. 53: 291-318 (2002)

Density profiles and surface tension of polymers near colloidal surfaces
A.A. Louis, P.G. Bolhuis, E.J. Meijer and J.P. Hansen. J. Chem. Phys. 116 (23): 10547-10556 (2002)

Coarse-graining polymers as soft colloids
A.A. Louis, P.G. Bolhuis, R. Finken, V. Krakoviack, E.J. Meijer and J.P. Hansen, Physica A 306 (1-4): 251-261 2002

How to derive and parameterize effective potentials in colloid-polymer mixtures
P.G. Bolhuis and A.A. Louis Macromolecules 35 (5): 1860-1869 (2002)

2001

Many-body interactions and correlations in coarse-grained descriptions of polymer solutions - art. no. 021801
P.G. Bolhuis, A.A. Louis and J-P. Hansen, Phys. Rev. E 6402 (2): 1801 (2001)

Accurate effective pair potentials for polymer solutions
P.G. Bolhuis, A.A. Louis, J-P Hansen and E.J. Meijer, J. Chem Phys 114 (9): 4296-4311 (2001)

2000

Mean-field fluid behavior of the Gaussian core model
A.A. Louis, P.G. Bolhuis, and J-P Hansen Phys. Rev. E 62 (6): 7961-7972 Part A ( 2000)

Transition path sampling of cavitation between molecular scale solvophobic surfaces
P.G. Bolhuis amd D. Chandler, J. Chem. Phys. 113 (18): 8154-8160 (2000)

Can polymer coils be modeled as "soft colloids"?
A.A. Louis, P.G. Bolhuis, J-P Hansen JP, and E.J. Meijer, Phys. Rev. Lett. 85 (12): 2522-2525 SEP 18 2000

Reaction coordinates in biomolecular isomerizations
P.G. Bolhuis, Ch. Dellago, and D. Chandler,P. Natl. Acad. Sci. USA 97 (11): 5877-5882 ( 2000)

Transition Path Sampling: Throwing ropes over mountains in the dark
P.G. Bolhuis, C. Dellago, P.L. Geissler, and D. Chandler, J. Phys. Cond. Matt. 12 , 147 (2000)

1999

On the calculation of reaction rate constants in the transition path ensemble
C. Dellago, P.G. Bolhuis and D. Chandler, J. Chem. Phys. 110:6617-6625 (1999)

Freezing of polydisperse hard spheres
D.A. Kofke and P.G. Bolhuis, Phys. Rev. E, ,59, 618-622 (1999)

1998

Sampling ensembles of deterministic transition pathways
P.G. Bolhuis, Ch. Dellago, and D. Chandler, Faraday Discussions,110:421-436 (1998)

Efficient transition path sampling: Application to Lennard-Jones cluster rearrangements
C. Dellago, P.G. Bolhuis amd D. Chandler, J. Chem. Phys. 108 (22): 9236-9245 ( 1998 )

Transition Path Sampling and the Calculation of Rate Constants: Application to Lennard-Jones cluster rearrangements
Ch. Dellago, P.G. Bolhuis, and D. Chandler, J. Chem. Phya. 108:9236-9245 (1998).

Transition Path Sampling and the Calculation of Rate Constants
C. Dellago, P.G. Bolhuis, F. S. Csajka, and D. Chandler, J. Chem. Phys. 108: 1964 (1998)

1997

Microscopic and mesoscopic simulation of entropic micelles
Peter .G. Bolhuis and Daan Frenkel, Physica A 244:45 (1997).

Numerical study of the phase behavior of rodlike colloids with attractive interactions.
Peter G. Bolhuis, Alain Stroobants, Daan Frenkel and Henk N.W. Lekkerkerker, J. Chem. Phys. 107 :1551-1564 (1997).

Entropy difference between the face-centered cubic and hexagonal close-packed crystal structures
Peter. G. Bolhuis and Daan Frenkel, Siun-Chuon Mau and David A. Huse, Nature 388:235 (1997)

Demixing in hard ellipsoid rod-plate mixtures Philip J. Camp, Michael P. Allen, Peter G. Bolhuis and Daan Frenkel. J. Chem. Phys. 106:9270-9275 (1997).

Isostructural solid-solid transitions in systems with a repulsive ``shoulder'' potential
P.G. Bolhuis and D. Frenkel, J. Phys. Cond. Matter, 9:381-387(1997).

Tracing the phase-boundaries of hard spherocylinders.
Peter Bolhuis and Daan Frenkel, J. Chem. Phys., 106:666-687(1997).

1996

Numerical study of freezing in polydisperse colloidal suspensions
P.G. Bolhuis and D. Kofke, J. Phys. Cond. Matter, 8:9627:9631 (1996);

A Monte Carlo Study of Freezing of Polydisperse Hard Spheres
P.G. Bolhuis and D. Kofke, Phys. Rev. E. 54:634-643 (1996)

Liquid-like behavior in solids.
D. Frenkel, P. Bladon, P. Bolhuis and M.H.J. Hagen, Molecular Simulation, 16:127-137(1996)

Liquid-like behaviour in colloidal crystals.
D. Frenkel, P. Bladon, P. Bolhuis and M. Hagen, Physica B 228:33-39(1996).

1995

Transverse interlayer order in lyotropic smectic liquid crystals
R.v.Roij, P.G. Bolhuis, B. Mulder and D. Frenkel, Phys. Rev. E, 52:R1277 (1995)

1994

Prediction of a expanded-to-condensed transition in colloidal crystals.
P. Bolhuis and D. Frenkel, Phys. Rev. Lett. 72:2211-2214 (1994).

Numerical study of the phase diagram of a mixture of spherical and rodlike colloids.
P.G. Bolhuis and D. Frenkel, J. Chem. Phys. 101:9869-9875 (1994)

Isostructural solid-solid transition in crystalline systems with short-ranged interaction.
P.G. Bolhuis and M.H.J. Hagen and D. Frenkel, Phys. Rev. E 50:4880-4890 (1994).

1993

Light scattering and sedimentation equilibrium of a concentrated multicomponent hard rod dispersion.
P.G. Bolhuis and H.N.W Lekkerkerker, Physica A, 196, 375 (1993)

Attractive double layer forces from hard-core correlations.
P.G. Bolhuis, T \o{A}kesson and B. J\"{o}nsson, J. Chem. Phys, 98, 8096 (1993)