Publications

•L. B. Frechette, C. Dellago, and P. L. Geissler. "Elastic Forces Drive Nonequilibrium Pattern Formation in a Model of Nanocrystal Cation Exchange", arXiv: 2103.05685. [PDF]

•S. J. Cox, K. K. Mandadapu, and P. L. Geissler. "Quadrupole-mediated dielectric response and the charge-asymmetric salvation of ions in water", arXiv: 2103.12389. [PDF]

•J. R. Rogers, G. Espinoza Garcia, and P. L. Geissler. "Membrane Hydrophobicity Determines the Activation Free Energy of Passive Lipid Transport", bioRxiv: 10.1101/2021.03.17.435885. [PDF]

•C. Moritz, P. L. Geissler, and C. Dellago. "The microscopic mechanism of bulk melting of ice", J. Chem. Phys. 155, 124501 (2021). [PDF]

•A. M. Rosnik and P. L. Geissler. "Lattice Models for Protein Organization throughout Thylakoid Membrane Stacks", Biophys. J. 118, 2680-2693 (2020). [PDF]

•L. B. Frechette, C. Dellago, and P. L. Geissler. "Origin of mean-field behavior in an elastic Ising model", Phys. Rev. B 102, 024102 (2020). [PDF]

•J. R. Rogers and P. L. Geissler. "Breakage of Hydrophobic Contacts Limits the Rate of Passive Lipid Exchange between Membranes", J. Phys. Chem. B 124, 5884-5898 (2020). [PDF]

•C. Moritz, M. Sega, M. Innerbichler, P. L. Geissler, and C. Dellago. "Weak scaling of the contact distance between two fluctuating interfaces with system size", Phys. Rev. E 102, 062801 (2020). [PDF]

•J. Hasnain, Y. Jiang, H. Hou, J. Yan, L. Athanasopoulou,  J. Forth, P. D. Ashby, B. A. Helms, T. P. Russell, and P. L. Geissler. "Spontaneous emulsification induced by nanoparticle surfactants", J. Chem. Phys. 153, 224705 (2020). [PDF]

•S. J. Cox, D. G. Thorpe, P. R. Shaffer, and P. L. Geissler. "Assessing long-range contributions to the charge asymmetry of ion adsorption at the air-water interface", Chem. Sci. 11, 11791 (2020). [PDF]

•Y. Chai, J. Hasnain, K. Bahl, M. Wong, D. Li, P. Geissler, P. Y. Kim, Y. Jiang, P. Gu, S. Li, D. Lei, B. A. Helms, T. P. Russell, and P. D. Ashby. "Direct observation of nanoparticle-surfactant assembly and jamming at the water-oil interface", Sci. Adv. 6, eabb8675 (2020). [PDF]

•A. K. Omar, K. Klymko, T. GrandPre, and P. L. Geissler. "Active Crystallization", arXiv: 2012.09803. [PDF]

•H. Mizuno, K. J. Oosterbaan, G. Menzl, J. Smith, A. M. Rizzuto, P. L. Geissler, M. Head-Gordon, and R. J. Saykally. "Revisiting the π → π* transition of the nitrate ion at the air/water interface: A combined experimental and theoretical study", Chem. Phys. Lett. 751, 137516 (2020). [PDF]

•L. B. Frechette, C. Dellago, and P. L. Geissler. "Consequences of lattice mismatch for phase equilibrium in heterostructured solids", Phys. Rev. Lett. 123, 135701 (2019). [PDF]

• G. M. Rotskoff and P. L. Geissler. "Robust nonequilibrium pathways to microcompartment assembly", Proc. Natl. Acad. Sci. 115, 6341-6346 (2018). [PDF]

• S. J. Cox and P. L. Geissler. "Interfacial ion solvation: Obtaining the thermodynamic limit from molecular simulations", J. Chem. Phys. 148, 222823 (2018). [PDF]

• M. Delor, J. Dai, T. D. Roberts, J. R. Rogers, S. M. Hamed, J. B. Neaton, P. L. Geissler, M. B. Francis, and N. S. Ginsberg. "Exploiting Chromophore-Protein Interactions through Linker Engineering to Tune Photoinduced Dynamics in a Biomimetic Light-Harvesting Platform", J. Am. Chem. Soc. 140, 6278-6287 (2018). [PDF]

• J. Forth, X. Liu, J. Hasnain, A. Toor, K. Miszta, S. Shi, P. L. Geissler, T. Emrick, B. A. Helms, and T. P. Russell. "Reconfigurable Printed Liquids", Adv. Mater. 30, 1707603 (2018). [PDF]

• M. R. Hauwiller, L. B. Frechette, M. R. Jones, J. C. Ondry, G. M. Rotskoff, P. L. Geissler, and A. P. Alivisatos. "Unraveling Kinetically-Driven Mechanisms of Gold Nanocrystal Shape Transformations Using Graphene Liquid Cell Electron Microscopy", Nano. Lett. 18, 5731-5737 (2018). [PDF]

• K. H. DuBay, K. Iwan, L. Osorlo-Planes, P. L. Geissler, M. Groll, D. Trauner, and J. Broichhagen. "A Predictive Approach for the Optical Control of Carbonic Anhydrase II Activity", ACS Chem. Bio. 13, 793-800 (2018). [PDF]

• K. Klymko, P. L. Geissler, J. P. Garrahan, and S. Whitelam. "Rare behavior of growth processes via umbrella sampling of trajectories", Phys. Rev. E 97, 032123 (2018). [PDF]

• J. P. Garrahan, P. L. Geissler, and D. T. Limmer. "Virtual Issue in Memory of David Chandler", J. Phys. Chem. B 121, 5309-5311 (2017). [PDF]

• D. L. McCaffrey, S. C. Nguyen, S. J. Cox, H. Weller, A. P. Alivisatos, P. L. Geissler, and R. J. Saykally. "Mechanism of ion adsorption to aqueous interfaces: Graphene/water vs. air/water", Proc. Natl. Acad. Sci. 114, 13369-13373 (2017). [PDF]

• N. Schwierz, C. V. Frost, P. L. Geissler, and M. Zacharias. "From Aβ Filament to Fibril: Molecular Mechanism of Surface-Activated Secondary Nucleation from All-Atom MD Simulations", J. Phys. Chem. B 121, 671–682 (2017). [PDF]

• S. Vaikuntanathan, G. M. Rotskoff, A. Hudson, P. L. Geissler. "Necessity of capillary modes in a minimal model of nanoscale hydrophobic solvation", Proc. Natl. Acad. Sci. 113, E2224-E2230 (2016). [PDF]

• N. Schwierz, C. V. Frost, P. L. Geissler, M. Zacharias. "Dynamics of Seeded Aβ40-Fibril Growth from Atomistic Molecular Dynamics Simulations: Kinetic Trapping and Reduced Water Mobility in the Locking Step", J. Am. Chem. Soc. 138, 527-539 (2016). [PDF]

• M. Gruenwald, S. Tricard, G. M. Whitesides, and P. L. Geissler. "Exploiting non-equilibrium phase separation for self-assembly", Soft Matter 12, 1517-1524 (2016). [PDF]

• N. Schwierz, R. K. Lam, Zach Gamlieli, J. J. Tills, A. Leung, P. L. Geissler, and R. J. Saykally. "Hydrogen and Electric Power Generation from Liquid Microjets: Design Principles for Optimizing Conversion Efficiency", J. Phys. Chem. C 120, 14513–14521 (2016). [PDF]

• X. Ye, M. R. Jones, L. B. Frechette, Q. Chen, A. S. Powers, P. Ercius, G. Dunn, G. M. Rotskoff, S. C. Nguyen, V. P. Adiga, A. Zettl, E. Rabani, P. L. Geissler, and A. P. Alivisatos. "Single-particle mapping of nonequilibrium nanocrystal transformations", Science 354, 874–877 (2016). [PDF]

• J. Weichsel and P. L. Geissler. "The More the Tubular: Dynamic Bundling of Actin Filaments for Membrane Tube Formation", PLoS Comp. Bio. 12, 1-13 (2016). [PDF]

• E. M. Schmid, M. H. Bakalar, K. Choudhuri, J. Weichsel, H. S. Ann, P. L. Geissler, M. L. Dustin, and D. A. Fletcher. "Size-dependent protein segregation at membrane interfaces", Nature Physics 12, 704-711 (2016). [PDF]

• K. Klymko, P. L. Geissler, and S. Whitelam. "Microscopic origin and macroscopic implications of lane formation in mixtures of oppositely-driven particles", Phys. Rev. E 94, 022608 (2016). [PDF]

• T. R. Gingrich, G. M. Rotskoff, G. E. Crooks, and P. L. Geissler. "Near-optimal protocols in complex nonequilibrium transformations", Proc. Natl. Acad. Sci. 113 10263–10268 (2016). [PDF]

• A. Widmer-Cooper and P. L. Geissler. "Ligand-Mediated Interactions between Nanoscale Surfaces Depend Sensitively and Nonlinearly on Temperature, Facet Dimensions, and Ligand Coverage", ACS Nano 10, 1877-1887 (2016). [PDF]

• R. Noriega, D. T. Finley, J. Haberstroh, P. L. Geissler, M. B. Francis, and N. S. Ginsberg. "Manipulating Excited-State Dynamcis of Individual Light-Harvesting Chromophores through Restricted Motions in a Hydrated Nanoscale Protein Cavity", J. Phys. Chem. B 119, 6963–6973 (2015). [PDF]

• K. H. Dubay, G. R. Bowman, and P. L. Geissler. "Fluctuations within Folded Proteins: Implications for Thermodynamic and Allosteric Regulation", Acc. Chem. Res. 48, 1098–1105 (2015). [PDF]

• T. R. Gingrich and P. L. Geissler. "Preserving correlations between trajectories for efficient path sampling", J. Chem. Phys. 142, 234104 (2015). [PDF]

• A. Widmer-Cooper and P. L. Geissler. "Orientational Ordering of Passivating Ligands on CdS Nanorods in Solution Generates Strong Rod–Rod Interactions", Nano Lett. 14, 57-65 (2014). [PDF]

• G. R. Bowman and P. L. Geissler. "Extensive Conformational Heterogeneity within Protein Cores", J. Phys. Chem. B 118, 6417–6423 (2014). [PDF]

• E. Hohlfeld and P. L. Geissler. "Dominance of extreme statistics in a prototype many-body Brownian ratchet", J. Chem. Phys. 141, 161101 (2014). [PDF]

• T. R. Gingrich, G. M. Rotskoff, S. Vaikuntanathan, and P. L. Geissler. "Efficiency and large deviations in time-asymmetric stochastic heat engines", New J. Phys. 16, 102003 (2014). [PDF]

• T. R. Gingrich, S. Vaikuntanathan, and P. L. Geissler. "Heterogeneity-induced large deviations in activity and (in some cases) entropy production", Phys. Rev. E 90, 042123 (2014). [PDF]

• B. Onoa, A. R. Schneider, M. D. Brooks, P. Grob, E. Nogales, P. L. Geissler, K. K. Niyogi, C. Bustamante. "Atomic Force Microscopy of Photosystem II and Its Unit Cell Clustering Quantitatively Delineate the Meoscale Variability in Arabidopsis Thylakoids", PLoS ONE 9, 1–12 (2014). [PDF]

• S. Vaikuntanathan, T. R. Gingrich and P. L. Geissler. "Dynamic phase transitions in simple driven kinetic networks", Phys. Rev. E 89, 062108 (2014). [PDF]

• A. R. Schneider and P. L. Geissler. "Coarse-grained computer simulation in thylakoid membranes: methods and opportunities", Front. Plant Sci. 4, 555 (2014). [PDF]

• M. Grünwald and P. L. Geissler. "Patterns without Patches: Hierarchical Self-Assembly of Complex Structures from Simple Building Blocks", ACS Nano 8, 5891-5897 (2014). [PDF]

• A. S. Mey, J. P. Garrahan, and P. L. Geissler. "Rare-event trajectory ensemble analysis reveals metastable dynamical phases in lattice proteins", Phys. Rev. E 89, 032109 (2014). [PDF]

• S. Vaikuntanathan and P. L. Geissler. "Putting water on a lattice: The importance of long wavelength density fluctuations in theories of hydrophobic and interfacial phenomena", Phys. Rev. Lett. 112, 020603 1–5 (2014). [PDF]

• P. L. Geissler. "Water Interfaces, Solvation, and Spectroscopy", Annu. Rev. Phys. Chem. 64, 317–337 (2013). [PDF]

• A. R. Schneider and P. L. Geissler. "Coexistence of fluid and crystalline phases of proteins in photosynthetic membranes", Biophys. J. 103, 1161–1170 (2013). [PDF]

• S. Vaikuntanathan, P. R. Shaffer and P. L. Geissler. "Adsorption of solutes at liquid-vapor interfaces: Insights from lattice gas models", Faraday Discuss. 160, 63–74 (2013). [PDF]

• M. Grünwald, K. Lutker, A. P. Alivisatos, E. Rabani and P.L. Geissler. "Metastability in Pressure-Induced Structural Transformations of CdSe/ZnS Core/Shell Nanocrystals", Nano Lett. 13, 1367–1372 (2013). [PDF]

• D. Chandler, C. Dellago, and P. L. Geissler. "Ion dynamics: Wired-up water", Nature Chemistry 4, 245–247 (2012). [PDF]

• J. Park, H. Zheng, W. C. Lee, P. L. Geissler, E. Rabani, A. P. Alivisatos. "Direct Observation of Nanoparticle Superlattice Formation by Using Liquid Cell Transmission Electron Microscopy", ACS Nano 6, 2078–2085 (2012). [PDF]

• A. Crow, K. D. Webster, E. Hohlfeld, W. P. Ng, P. L. Geissler, and D. A. Fletcher. "Contractile equilibrium of single cells to step changes in extracellular stiffness", Biophys. J. 102, 443-451 (2012). [PDF]

• J. C. Stachowiak, E. M. Schmid, C. J. Ryan, H. S. Ann, D. Y. Sasaki, M. B. Sherman, P. L. Geissler, D. A. Fletcher, and C. C. Hayden. "Membrane bending by protein-protein crowding", Nat. Cell. Bio. 14, 944-949 (2012). [PDF]

• M. Grünwald, A. Zayak, J. B. Neaton, P. L. Geissler and E. Rabani. "Transferable pair potentials for CdS and ZnS crystals", J. Chem. Phys. 136, 234111 (2012). [PDF]

• G. R. Bowman and P. L. Geissler. "Equilibrium fluctuations of a single folded protein reveal a multitude of potential cryptic allosteric sites", Proc. Natl. Acad. Sci. 109, 11681–11686 (2012). [PDF]

• V. I. Risca, E. B. Wang, O. Chaudhuri, J. J. Chia, P. L. Geissler, and D. A. Fletcher. "Actin filament curvature biases branching direction", Proc. Natl. Acad. Sci. 109, 2913–2918 (2012). [PDF]

• J. Henzie, M. Grünwald, A. Widmer-Cooper, and P. L. Geissler. "Self-assembly of uniform polyhedral silver nanocrystals into densest packings and exotic superlattices", Nature Materials 11, 131–137 (2012). [PDF]

• D. E. Otten, P. R. Shaffer, P. L. Geissler, and R. J. Saykally. "Elucidating the mechanism of selective ion adsorption to the liquid water surface", Proc. Natl. Acad. Sci. 109, 701–705 (2012). [PDF]

• D. A. Sivak and P. L. Geissler. "Consequences of local inter-strand dehybridization for large-amplitude bending fluctuations of double-stranded DNA", J. Chem. Phys. 136, 045102 (2012). [PDF]

• J. Ku, D. M. Aruguete, A. P. Alivisatos, and P. L. Geissler. "Self-assembly of magnetic nanoparticles in evaporating solution", J. Am. Chem. Soc. 133, 838–848 (2011). [PDF]

• S. J. Byrnes, P. L. Geissler, and Y. R. Shen. "Ambiguities in surface nonlinear spectroscopy calculations", Chem. Phys. Lett. Frontiers 516, 115–124 (2011). [PDF]

• K. H. DuBay, J. P. Bothma, and P. L. Geissler. "Long-range intra-protein communication can be transmitted by correlated side-chain fluctuations alone", PLoS Comp. Bio. 7, 1–11 (2011). [PDF]

• R. A. Miller, N. Stephanopoulos, J. M. McFarland, A. S. Rosko, P. L. Geissler, and M. B. Francis. "Impact of assembly state on the defect tolerance of TMV-based light harvesting arrays", J. Am. Chem. Soc. 132, 6068–6074 (2010). [PDF]

• J. L. Baker, A. Widmer-Cooper, M. F. Toney, P. L. Geissler, and A. P. Alivisatos. "Device-scale perpendicular alignment of colloidal nanorods", Nano Lett. 10, 195–201 (2010). [PDF]

• S. Whitelam, P. L. Geissler, and S. Pronk. "Microscopic implications of S-DNA", Phys. Rev. E 82, 021907 (2010). [PDF]

• W. Browne and P. L. Geissler. "The susceptibility of α-helical secondary structure to steric strain: coarse-grained simulation of dendronized polypeptides", J. Chem. Phys. 133, 145102 (2010). [PDF]

• A. Pasqua, L. Maibaum, G. Oster, D. A. Fletcher, and P. L. Geissler. "Large-scale simulations of fluctuating biological membranes", J. Chem. Phys. 132, 154107 (2010). [PDF]

• B. C. Gin, J. P. Garrahan, and P. L. Geissler. "The limited role of nonnative contacts in the folding pathways of a lattice protein", J. Mol. Bio. 392, 1303–1314 (2009). [PDF]

• J. Noah-Vanhoucke, J. D. 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, 21–27 (2009). [PDF]

• 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, 1251–1262 (2009). [PDF]

• 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 Lett. 9, 292–297 (2009). [PDF]

• J. Noah-Vanhoucke, J. D. Smith, and P. L. Geissler. "Toward a simple molecular understanding of sum frequency generation at air–water interfaces", J. Phys. Chem. B 113, 4065–4074 (2009). [PDF]

• A. J. Mastroianni, D. A. Sivak, P. L. Geissler, and A. P. Alivisatos. "Probing the conformational distributions of subpersistence length DNA", Biophys. J. 97, 1408–1417 (2009). [PDF]

• D. A. Fletcher and P. L. Geissler. "Active biological materials", Ann. Rev. Phys. Chem. 60, 469–486 (2009). [PDF]

• K. H. DuBay and P. L. Geissler. "Calculation of proteins' total side-chain torsional entropy and its influence on protein–ligand interactions", J. Mol. Bio. 391, 484–497 (2009). [PDF]

• J. Noah-Vanhoucke and P. L. Geissler. "On the fluctuations that drive small ions toward, and away from, interfaces between polar liquids and their vapors", Proc. Natl. Acad. Sci. 36, 15125–15130 (2009). [PDF]

• S. Pronk and P. L. Geissler. "Faster strain fluctuation methods through partal volume updates", J. Chem. Phys. 130, 194706 (2009). [PDF]

• M. J. Park, A. J. Nedoma, P. L. Geissler, and N. P. Balsara. "Humidity-induced phase transitions in ion-containing block copolymer membranes", Macromolecules 41, 2271–2277 (2008). [PDF]

• S. Whitelam, S. Pronk, and P. L. Geissler. "There and (slowly) back again: entropy-driven hysteresis in a model of DNA overstretching", Biophys. J. 94, 2452–2469 (2008). [PDF]

• H. Shroff, D. Sivak, J. J. Siegel, A. L. McEvoy, M. Siu, A. Spakowitz, P. L. Geissler, and J. Liphardt. "Optical measurement of mechanical forces inside short DNA loops", Biophys. J. 94, 2179–2186 (2008). [PDF]

• S. Pronk, P. L. Geissler, and D. A. Fletcher. "Limits of filopodium stability", Phys. Rev. Lett. 100, 258102 (2008). [PDF]

• A. P. Liu, D. L. Richmond, L. Maibaum, S. Pronk, P. L. Geissler, and D. A. Fletcher. "Membrane-induced bundling of actin filaments", Nature Physics 4, 789–793 (2008). [PDF]

• S. Whitelam, S. Pronk, and P. L. Geissler. "Stretching chimeric DNA: a test for the putative S-form", J. Chem. Phys. 129, 205101 (2008). [PDF]

• M. Grünwald, C. Dellago, and P. L. Geissler. "Precision shooting: sampling long transition pathways", J. Chem. Phys. 129, 194101 (2008). [PDF]

• M. Grünwald, C. Dellago, and P. L. Geissler. "An efficient transition path sampling algorithm for nanoparticles under pressure", J. Chem. Phys. 127, 154718 (2007). [PDF]

• R. L. York, W. K. Browne, P. L. Geissler, and G. A. Somorjai. "Peptides adsorbed on hydrophobic surfaces—a sum frequency generation vibrational spectroscopy and modeling study", Israel J. Chem. 47, 51–58 (2007). [PDF]

• S. Whitelam and P. L. Geissler. "Avoiding unphysical kinetic traps in Monte Carlo simulations of strongly attractive particles", J. Chem. Phys. 127, 154101 (2007). [PDF]

• E. H. Trepagnier, A. Radenovic, D. Sivak, P. Geissler, and J. Liphardt. "Controlling DNA capture and propagation through artificial nanopores", Nano Lett. 7, 2824–2830 (2007). [PDF]

• J. D. Smith, R. J. Saykally, and P. L. Geissler. "The effects of dissolved halide anions on hydrogen bonding in liquid water", J. Am. Chem, Soc. 129, 13847–13856 (2007). [PDF]

• C. Dellago, P. G. Bolhuis, and P. L. Geissler. "Transition path sampling methods", Computer Simulations in Condensed Matter: From Materials to Chemical Biology 1, 349-391 (2006). [PDF]

• S. Whitelam and P. L. Geissler. "Two-stage coarsening mechanism in a kinetically constrained model of an attractive colloid", Phys. Rev. E 73, 016115 (2006). [PDF]

• 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, 044113 (2006). [PDF]

• P. L. Geissler. "Temperature dependence of inhomogeneous broadening: on the meaning of isosbestic points", J. Am. Chem. Soc. 127, 14930–14935 (2005). [PDF]

• D. R. Reichman, E. Rabani, and P. L. Geissler. "Comparison of dynamical heterogeneity in hard-sphere and attractive glass formers", J. Chem. Phys. B 109, 14654–14658 (2005). [PDF]

• H. Oberhofer, C. Dellago, and P. L. Geissler. "Biased sampling of nonequilibrium trajectories: can fast switching simulations outperform conventional free energy calculation methods?", J. Chem. Phys. B 109, 6902–6915 (2005). [PDF]

• 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", Proc. Natl. Acad. Sci. 102, 13019–13022 (2005). [PDF]

• J. D. Eaves, A. Tokmakoff, and P. L. Geissler. "Electric field fluctuations drive vibrational dephasing in water", J. Phys. Chem. A 109, 9424–9436 (2005). [PDF]

• 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", Proc. Natl. Acad. Sci. 102, 14171–14174 (2005). [PDF]

• P. L. Geissler, E. I. Shakhnovich, and A. Y. Grosberg. "Solvation versus freezing in a heteropolymer globule", Phys. Rev. E 70, 021802 (2004). [PDF]

• P. L. Geissler and C. Dellago. "Equilibrium time correlation functions from irreversible transformations in trajectory space", J. Phys. Chem. B 108, 6667–6672 (2004). [PDF]

• P. L. Geissler and D. R. Reichman. "Nature of slow dynamics in a minimal model of frustration-limited domains", Phys. Rev. E 69, 021501 (2004). [PDF]

• P. L. Geissler and D. R. Reichman. "Short-ranged attractions in jammed liquids: how cooling can melt a glass", Phys. Rev. E 71, 031206 (2004). [PDF]

• 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, 1698–1702 (2003). [PDF]

• P. L. Geissler and D. R. Reichman. "Reply to 'Comment on the nature of slow dynamics in a minimal model of frustration-limited domains'", arXiv:cond-mat 0307176 (2003). [PDF]

• C. Dellago and P. L. Geissler. "Monte Carlo sampling in path space: calculating time correlation functions by transforming ensembles of trajectories", AIP Conference Proceedings 690, 192–199 (2003). [PDF]

• E. Rabani, D. R. Reichman, P. L. Geissler, and L. E. Brus. "Drying-mediated self-assembly of nanoparticles", Nature 426, 271–274 (2003). [PDF]

• P. L. Geissler and E. I. Shakhnovich. "Reversible stretching of random heteropolymers", Phys. Rev. E 65, 056110 (2002). [PDF]

• P. L. Geissler and E. I. Shakhnovich. "Mechanical response of random heteropolymers", Macromolecules 35, 4429–4436 (2002). [PDF]

• 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, 291–318 (2002). [PDF]

• C. Dellago, P.G. Bolhuis, and P.L. Geissler. "Transition path sampling", Adv. in Chem. Phys. 123, 1–78 (2002). [PDF]

• C. Dellago, P.L. Geissler, D. Chandler, J. Hutter, and M. Parrinello. "Comment on 'Dissociation of water under pressure'", Phys. Rev. Lett. 89, 199601-1 (2002). [PDF]

• D. M. Huang, P. L. Geissler, and D. Chandler. "Scaling of hydrophobic solvation free energies", J. Phys. Chem. B 105, 6704–6709 (2001). [PDF]

• P. L. Geissler, C. Dellago, D. Chandler, J. Hutter, and M. Parrinello. "Autoionization in liquid water", Science 291, 2121–2124 (2001). [PDF]

• P. G. Bolhuis, C. Dellago, P. L. Geissler, and D. Chandler. "Transition path sampling: throwing ropes over mountains in the dark", J. Phys.: Condens. Matter 12, A147–A152 (2000). [PDF]

• P. L. Geissler, C. Dellago, D. Chandler, J. Hutter, and M. Parrinello. "Ab initio analysis of proton transfer dynamics in (H₂O)₃H⁺", Chem. Phys. Lett. 321, 225–230 (2000). [PDF]

• P. L. Geissler and D. Chandler. "Importance sampling and theory of nonequilibrium solvation dynamics in water", J. Chem. Phys. 113, 9759–9765 (2000). [PDF]

• 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, 149–155 (2000). [PDF]

• P. L. Geissler, C. Dellago, and D. Chandler. "Kinetic pathways of ion pair dissociation in water", J. Phys. Chem. B 103, 3706–3710 (1999). [PDF]

• 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, 1317–1322 (1999). [PDF]

• A. P. Chatterjee, P. L. Geissler, and R. F. Loring. "Stress relaxation in unentangled and entangled polymer liquids", J. Chem. Phys. 104, 5284–5293 (1996). [PDF]