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Publications

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2009
2008
2007
2006
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2004
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2009
  • S. Whitelam, C. Rogers, A. Pasqua, C. Paavola, J. Trent, and P.L. Geissler The Impact of Conformational Fluctuations on Self-Assembly: Cooperative Aggregation of Archaeal Chaperonin Proteins Nano Letters , 9 (2009), p. 292-297
  • B. Gin, J. Garrahan, and P.L. Geissler Dynamical irrelevance of non-native contacts in a lattice model of protein folding q-bio.BM/0808.2231v2 (2009)
  • J. Noah-Vanhoucke, J. Smith, and P.L. Geissler Statistical mechanics of sum frequency generation spectroscopy for the liquid-vapor interface of dilute aqueous salt solutions Chem. Phys. Lett. , 470 (2009), p. 21-27
  • J. Noah-Vanhoucke, J. Smith, and P.L. Geissler Toward a simple molecular understanding of sum frequency generation at air-water interfaces J. Phys. Chem. B , 113 (2009), p. 4065-4074
  • K.H. DuBay and P.L. Geissler Calculation of proteins' total side-chain torsional entropy and its influence on protein-ligand interactions J. Mol. Biol. (2009)
  • S. Whitelam, E. H. Feng, M. F. Hagan, and P. L. Geissler The role of collective motion in examples of coarsening and self-assembly Soft Matter , 5 (2009), p. 1251-1262
  • J. Noah-Vanhoucke and P.L. Geissler On the fluctuations that drive small ions towards, and away from, interfaces between polar liquids and their vapors PNAS , 106 (2009)
  • D. A. Fletcher and P. L. Geissler Active Biological Materials Annual Review of Physical Chemistry , 60 (2009), p. 469-486
  • A.J. Mastroianni, D.A. Sivak, A.P. Alivisatos, and P.L. Geissler Probing the Conformational Distributions of Sub-Persistence Length DNA Biophysical Journal (2009)
  • S. Pronk and P. L. Geissler Faster strain fluctuation methods through partial volume updates Journal of Chemical Physics , 130 (2009), p. 194706
2008
  • S. Whitelam, S. Pronk, and P.L. Geissler There and (slowly) back again: Entropy-driven hysteresis in a model of DNA overstretching Biophys. J. (2008), p. 2452--2469
  • H. Shroff, D. Sivak, J. Siegel, A. McEvoy, M. Siu, A. Spakowitz, P.L. Geissler, and J. Liphardt Optical Measurement of Mechanical Forces Inside Short DNA Loops Biophys. J. , 94 (2008), p. 2179-2186
  • S. Pronk, P.L. Geissler, and D.A. Fletcher Limits of Filopodium Stability Physical Review Letters , 100 (2008), p. 258102
  • M. Park, A. Nedoma, P. Geissler, N. Balsara, A. Jackson, and D. Cookson Humidity-Induced Phase Transitions in Ion-Containing Block Copolymer Membranes Macromolecules , 41 (2008), p. 2271-2277
  • M. Grunwald, C. Dellago, and P.L. Geissler Precision shooting: Sampling long transition pathways The Journal of Chemical Physics , 129 (2008), p. 194101
  • S. Whitelam, S. Pronk, and P.L. Geissler Stretching chimeric DNA: a test for the putative S-form J. Chem. Phys. , 129 (2008), p. 205101
  • A. Liu, D. Richmond, L. Maibaum, S. Pronk, P.L. Geissler, and D. Fletcher Membrane-induced bundling of actin filaments Nature Physics , 4 (2008)
2007
  • M. Grunwald, C. Dellago, and P.L. Geissler An efficient transition path sampling algorithm for nanoparticles under pressure J. Chem. Phys. , 127 (2007), p. 154718
  • J. Smith, R. Saykally, and P.L. Geissler The Effects of Dissolved Halide Anions on Hydrogen Bonding in Liquid Water J. Am. Chem. Soc , 129 (2007), p. 13847--13856
  • R. York, W. Browne, P.L. Geissler, and G. Somorjai Peptides Adsorbed on Hydrophobic Surfaces---A Sum Frequency Generation Vibrational Spectroscopy and Modeling Study Israel J. Chem. , 47 (2007), p. 51--58
  • E. Trepagnier, A. Radenovic, D. Sivak, P.L. Geissler, and J. Liphardt Controlling DNA Capture and Propagation through Artificial Nanopores Nano Lett. , 7 (2007), p. 2824--2830
  • S. Whitelam and P.L. Geissler Avoiding unphysical kinetic traps in Monte Carlo simulations of strongly attractive particles J. Chem. Phys. , 127 (2007), p. 154101
2006
  • W. Lechner, H. Oberhofer, C. Dellago, and P.L. Geissler Equilibrium free energies from fast-switching trajectories with large time steps J. Chem. Phys. , 124 (2006), p. 044113
  • S. Whitelam and P.L. Geissler Two-stage coarsening mechanism in a kinetically constrained model of an attractive colloid Phys. Rev. E , 73 (2006), p. 016115
2005
  • P.L. Geissler Temperature dependence of inhomogeneous broadening: On the meaning of isosbestic points J. Am. Chem. Soc. , 127 (2005), p. 14930-14935
  • J.D. Eaves, A. Tokmakoff, and P.L. Geissler Electric field fluctuations drive vibrational dephasing in water J. Chem Phys. A , 109 (2005), p. 9424-9436
  • J.D. Smith, C.D. Cappa, K.R. Wilson, R.C. Cohen, P.L. Geissler, and R.J. Saykally Unified description of temperature-dependent hydrogen-bond rearrangements in liquid water PNAS , 102 (2005), p. 14171-14174
  • D. R. Reichman, E. Rabani, and P.L. Geissler Comparison of Dynamical Heterogeneity in Hard-Sphere and Attractive Glass Formers J. Chem. Phys. B. (2005), p. 14654
  • H. Oberhofer, C. Dellago and P.L. Geissler Biased sampling of non-equilibrium trajectories: Can fast switching simulations outperform conventional free energy calculation methods? J. Chem Phys. B , 109 (2005), p. 6902
  • J.D. Eaves, J.J. Loparo, C.J. Fecko, S.T. Roberts, A.Tokmakoff, and P.L. Geissler Hydrogen bonds in liquid water are broken only fleetingly PNAS , 102 (2005), p. 13019-13022
2004
  • P.L. Geissler and D.R. Reichman The nature of slow dynamics in a minimal model of frustration-limited domains Phys. Rev. E , 69 (2004), p. 021501
  • C. Dellago and P.L. Geissler Equilibrium time correlation functions from non-equilibrium transformations in trajectory space J. Phys. Chem B , 108 (2004), p. 6667
  • P.L. Geissler, E.I. Shakhnovich, and A.Yu. Grosberg Solvation vs. freezing in a heteropolymer globule Phys. Rev. E (2004), p. 012802
  • P.L. Geissler and D. R. Reichman Short-ranged attractions in jammed liquids: How cooling can melt a glass Phys. Rev. E , 71 (2004), p. 031206
2003
  • C.J. Fecko, J.D. Eaves, J.J. Loparo, A. Tokmakoff, and P.L. Geissler Ultrafast Hydrogen-Bond Dynamics in the Infrared Spectroscopy of Water Science , 301 (2003), p. 1698
  • P.L. Geissler and D.R. Reichman Reply to "Comment on 'The nature of slow dynamics in a minimal model of frustration-limited domains'" cond-mat/0307176 (2003)
  • E. Rabani, D.R. Reichman, P.L. Geissler, and L. Brus Drying-mediated self-assembly of nanoparticles Nature , 426 (2003), p. 271
  • C. Dellago and P.L. Geissler Monte Carlo sampling in path space: Calculating time correlation functions by transforming ensembles of trajectories in: Proceedings of the Monte Carlo method in the Physical Sciences: Celebrating the 50th anniversary of the Metropolis algorithm, AIP Conference proceedings; AIP: Melville, NY , 690 (2003), p. 192
2002
  • P.G. Bolhuis, D. Chandler, C. Dellago, and P.L. Geissler Transition path sampling: Throwing ropes over rough mountain passes, in the dark Ann. Rev. Phys. Chem. , 53 (2002), p. 291-318
  • P.L. Geissler and E.I. Shakhnovich Mechanical response of random heteropolymers Macromolecules , 35 (2002), p. 4429-4436
  • P.L. Geissler and E.I. Shakhnovich Reversible stretching of random heteropolymers Phys. Rev. E , 65 (2002), p. 056110
  • C. Dellago, P.L. Geissler, D. Chandler, J. Hutter, and M. Parrinello Comment on "Dissociation of water under pressure" Phys. Rev. Lett. , 89 (2002), p. 199601
  • C. Dellago, P.G. Bolhuis, and P.L. Geissler Transition path sampling Advs in Chem. Phys. , 123 (2002), p. 1-78
2001
  • P.L. Geissler, C. Dellago, D. Chandler, J. Hutter, and M. Parrinello Autoionization in liquid water Science , 291 (2001), p. 2121-2124
  • D.M. Huang, P.L. Geissler, and D. Chandler Scaling of hydrophobic solvation free energies J. Phys. Chem. B , 105 (2001), p. 6704-6709
2000
  • P.G. Bolhuis, C. Dellago, P.L. Geissler, and D. Chandler Transition path sampling: throwing ropes over mountains in the dark Journal of Physics-Condensed Matter , 12 (2000), p. A147-A152
  • P.L. Geissler, C. Dellago, D. Chandler, J. Hutter, M. Parrinello Ab initio analysis of proton transfer dynamics in (H2O)3H+ Chem. Phys. Lett. , 321 (2000), p. 225-230
  • P.L. Geissler and D. Chandler Importance sampling and theory of nonequilibrium solvation dynamics in water J. Chem. Phys. , 113 (2000), p. 9759-9765
  • P.L. Geissler, T. Van Voorhis, and C. Dellago Potential energy landscape for proton transfer in (H2O)3H+: comparison of density functional theory and wavefunction-based methods Chem. Phys. Lett. , 324 (2000), p. 149-155
1999
  • P.L. Geissler, C. Dellago, and D. Chandler Kinetic Pathways of Ion Pair Dissociation in Water J. Phys. Chem. B , 103 (1999), p. 3706-3710
  • P.L. Geissler, C. Dellago, and D. Chandler Chemical dynamics of the protonated water trimer analyzed by transition path sampling Phys. Chem. Chem. Phys. , 1 (1999), p. 1317-1322
1996
  • A.P. Chatterjee, P.L. Geissler, and R.F. Loring Stress relaxation in entangled and unentangled polymer melts J. Chem. Phys. , 104 (1996), p. 5284-5293