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Pablo G. Debenedetti - Publications

Affiliations: 
Engineering and Applied Science Princeton University, Princeton, NJ 
Area:
condensed matter
Website:
http://www.princeton.edu/cbe/people/faculty/debenedetti/

260 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2021 Petsev ND, Stillinger FH, Debenedetti PG. Effect of configuration-dependent multi-body forces on interconversion kinetics of a chiral tetramer model. The Journal of Chemical Physics. 155: 084105. PMID 34470355 DOI: 10.1063/5.0060266  1
2021 Gartner TE, Torquato S, Car R, Debenedetti PG. Manifestations of metastable criticality in the long-range structure of model water glasses. Nature Communications. 12: 3398. PMID 34099681 DOI: 10.1038/s41467-021-23639-2  1
2021 Debenedetti PG, Poole PH, Sastry S, Sciortino F. C. Austen Angell (1933-2021). Nature. 593: 336. PMID 33990797 DOI: 10.1038/d41586-021-01319-x  1
2021 Kozuch DJ, Stillinger FH, Debenedetti PG. Effects of Trehalose on Lipid Membranes under Rapid Cooling using All-Atom and Coarse-Grained Molecular Simulations. The Journal of Physical Chemistry. B. 125: 5346-5357. PMID 33978410 DOI: 10.1021/acs.jpcb.1c02575  1
2021 Piaggi PM, Panagiotopoulos AZ, Debenedetti PG, Car R. Phase Equilibrium of Water with Hexagonal and Cubic Ice Using the SCAN Functional. Journal of Chemical Theory and Computation. PMID 33835819 DOI: 10.1021/acs.jctc.1c00041  1
2021 Zerze GH, Stillinger FH, Debenedetti PG. Thermodynamics of DNA Hybridization from Atomistic Simulations. The Journal of Physical Chemistry. B. PMID 33434025 DOI: 10.1021/acs.jpcb.0c09237  1
2020 Markwalter CE, Uralcan B, Pelczer I, Zarzhitsky S, Hecht MH, Prud'homme RK, Debenedetti PG. Stability of Protein Structure during Nanocarrier Encapsulation: Insights on Solvent Effects from Simulations and Spectroscopic Analysis. Acs Nano. PMID 33211493 DOI: 10.1021/acsnano.0c06056  1
2020 Kozuch DJ, Stillinger FH, Debenedetti PG. Genetic Algorithm Approach for the Optimization of Protein Antifreeze Activity Using Molecular Simulations. Journal of Chemical Theory and Computation. PMID 33201707 DOI: 10.1021/acs.jctc.0c00773  1
2020 Gartner TE, Zhang L, Piaggi PM, Car R, Panagiotopoulos AZ, Debenedetti PG. Signatures of a liquid-liquid transition in an ab initio deep neural network model for water. Proceedings of the National Academy of Sciences of the United States of America. PMID 33008883 DOI: 10.1073/pnas.2015440117  1
2020 Debenedetti PG, Sciortino F, Zerze GH. Second critical point in two realistic models of water. Science (New York, N.Y.). 369: 289-292. PMID 32675369 DOI: 10.1126/Science.Abb9796  1
2020 Zerze GH, Stillinger FH, Debenedetti PG. The Handedness of DNA Assembly Around Carbon Nanotubes Is Determined by the Chirality of DNA. The Journal of Physical Chemistry. B. PMID 32503362 DOI: 10.1021/Acs.Jpcb.0C02816  1
2020 Kozuch DJ, Ristroph K, Prud'homme RK, Debenedetti PG. Insights into Hydrophobic Ion Pairing from Molecular Simulation and Experiment. Acs Nano. PMID 32352749 DOI: 10.1021/Acsnano.0C01835  1
2019 Kozuch DJ, Stillinger FH, Debenedetti PG. Low temperature protein refolding suggested by molecular simulation. The Journal of Chemical Physics. 151: 185101. PMID 31731860 DOI: 10.1063/1.5128211  1
2019 Zerze GH, Stillinger FH, Debenedetti PG. Computational investigation of retro-isomer equilibrium structures: Intrinsically disordered, foldable, and cyclic peptides. Febs Letters. PMID 31356683 DOI: 10.1002/1873-3468.13558  1
2019 Cerdeiriña CA, Troncoso J, González-Salgado D, Debenedetti PG, Stanley HE. Water's two-critical-point scenario in the Ising paradigm. The Journal of Chemical Physics. 150: 244509. PMID 31255058 DOI: 10.1063/1.5096890  1
2019 Singh RS, Palmer JC, Panagiotopoulos AZ, Debenedetti PG. Thermodynamic analysis of the stability of planar interfaces between coexisting phases and its application to supercooled water. The Journal of Chemical Physics. 150: 224503. PMID 31202225 DOI: 10.1063/1.5097591  1
2019 Uralcan B, Debenedetti PG. Computational Investigation of the Effect of Pressure on Protein Stability. The Journal of Physical Chemistry Letters. 10: 1894-1899. PMID 30939023 DOI: 10.1021/Acs.Jpclett.9B00545  1
2019 Jiang H, Debenedetti PG, Panagiotopoulos AZ. Nucleation in aqueous NaCl solutions shifts from 1-step to 2-step mechanism on crossing the spinodal. The Journal of Chemical Physics. 150: 124502. PMID 30927905 DOI: 10.1063/1.5084248  1
2019 Zerze GH, Stillinger FH, Debenedetti PG. Effect of heterochiral inversions on the structure of a β-hairpin peptide. Proteins. PMID 30811673 DOI: 10.1002/Prot.25680  1
2019 Uralcan B, Latinwo F, Debenedetti PG, Anisimov MA. Pattern of property extrema in supercooled and stretched water models and a new correlation for predicting the stability limit of the liquid state. The Journal of Chemical Physics. 150: 064503. PMID 30769971 DOI: 10.1063/1.5078446  1
2018 Kozuch DJ, Stillinger FH, Debenedetti PG. Combined molecular dynamics and neural network method for predicting protein antifreeze activity. Proceedings of the National Academy of Sciences of the United States of America. 115: 13252-13257. PMID 30530650 DOI: 10.1073/Pnas.1814945115  1
2018 Jiang H, Debenedetti PG, Panagiotopoulos AZ. Communication: Nucleation rates of supersaturated aqueous NaCl using a polarizable force field. The Journal of Chemical Physics. 149: 141102. PMID 30316274 DOI: 10.1063/1.5053652  1
2018 Palmer JC, Poole PH, Sciortino F, Debenedetti PG. Advances in Computational Studies of the Liquid-Liquid Transition in Water and Water-Like Models. Chemical Reviews. PMID 30152693 DOI: 10.1021/Acs.Chemrev.8B00228  1
2018 Zerze GH, Khan MN, Stillinger FH, Debenedetti PG. Computational Investigation of the Effect of Backbone Chiral Inversions on Polypeptide Structure. The Journal of Physical Chemistry. B. PMID 29793336 DOI: 10.1021/Acs.Jpcb.8B03157  1
2018 Palmer JC, Haji-Akbari A, Singh RS, Martelli F, Car R, Panagiotopoulos AZ, Debenedetti PG. Comment on "The putative liquid-liquid transition is a liquid-solid transition in atomistic models of water" [I and II: J. Chem. Phys. 135, 134503 (2011); J. Chem. Phys. 138, 214504 (2013)]. The Journal of Chemical Physics. 148: 137101. PMID 29626877 DOI: 10.1063/1.5029463  1
2018 Uralcan B, Kim SB, Markwalter CE, Prud'homme RK, Debenedetti PG. A Computational Study of the Ionic Liquid-Induced Destabilization of the Miniprotein Trp-Cage. The Journal of Physical Chemistry. B. PMID 29617131 DOI: 10.1021/Acs.Jpcb.8B01722  1
2018 Altabet YE, Fenley AL, Stillinger FH, Debenedetti PG. Cavitation transition in the energy landscape: Distinct tensile yielding behavior in strongly and weakly attractive systems. The Journal of Chemical Physics. 148: 114501. PMID 29566513 DOI: 10.1063/1.5019274  1
2018 Biddle JW, Singh RS, Sparano EM, Ricci F, González MA, Valeriani C, Abascal JLF, Debenedetti PG, Anisimov MA, Caupin F. Erratum: "Two-structure thermodynamics for the TIP4P/2005 model of water covering supercooled and deeply stretched regions" [J. Chem. Phys. 146, 034502 (2017)]. The Journal of Chemical Physics. 148: 069901. PMID 29448788 DOI: 10.1063/1.5024509  1
2018 Jiang H, Haji-Akbari A, Debenedetti PG, Panagiotopoulos AZ. Forward flux sampling calculation of homogeneous nucleation rates from aqueous NaCl solutions. The Journal of Chemical Physics. 148: 044505. PMID 29390820 DOI: 10.1063/1.5016554  1
2017 Altabet YE, Debenedetti PG. Communication: Relationship between local structure and the stability of water in hydrophobic confinement. The Journal of Chemical Physics. 147: 241102. PMID 29289133 DOI: 10.1063/1.5013253  1
2017 Debenedetti PG, Klein ML. Chemical physics of water. Proceedings of the National Academy of Sciences of the United States of America. PMID 29229822 DOI: 10.1073/Pnas.1719350115  0.01
2017 Cerdeirina CA, Debenedetti PG. Water's Thermal Pressure Drives the Temperature Dependence of Hydrophobic Hydration. The Journal of Physical Chemistry. B. PMID 29227672 DOI: 10.1021/Acs.Jpcb.7B11100  0.16
2017 Cerdeirina CA, Debenedetti PG. Water's Thermal Pressure Drives the Temperature Dependence of Hydrophobic Hydration. The Journal of Physical Chemistry. B. PMID 29227672 DOI: 10.1021/acs.jpcb.7b11100  0.2
2017 Altabet YE, Singh RS, Stillinger FH, Debenedetti PG. Thermodynamic Anomalies in Stretched Water. Langmuir : the Acs Journal of Surfaces and Colloids. PMID 28885852 DOI: 10.1021/Acs.Langmuir.7B02339  1
2017 Haji-Akbari A, Debenedetti PG. Perspective: Surface freezing in water: A nexus of experiments and simulations. The Journal of Chemical Physics. 147: 060901. PMID 28810776 DOI: 10.1063/1.4985879  1
2017 Kim SB, Singh RS, Paul PKC, Debenedetti PG. Effects of disulfide bridges and backbone connectivity on water sorption by protein matrices. Scientific Reports. 7: 7957. PMID 28801577 DOI: 10.1038/S41598-017-08561-2  1
2017 Haji-Akbari A, Debenedetti PG. Computational investigation of surface freezing in a molecular model of water. Proceedings of the National Academy of Sciences of the United States of America. PMID 28292905 DOI: 10.1073/Pnas.1620999114  1
2017 Singh RS, Palmer JC, Pudney PD, Paul PK, Johannessen C, Debenedetti PG, Raut J, Lee K, Noro M, Tiemessen D. Molecular modeling and structural characterization of a high glycine-tyrosine hair keratin associated protein. Physical Chemistry Chemical Physics : Pccp. PMID 28289743 DOI: 10.1039/C6Cp06772G  1
2017 Altabet YE, Haji-Akbari A, Debenedetti PG. Effect of material flexibility on the thermodynamics and kinetics of hydrophobically induced evaporation of water. Proceedings of the National Academy of Sciences of the United States of America. PMID 28289194 DOI: 10.1073/Pnas.1620335114  1
2017 Kim SB, Sparano EM, Singh RS, Debenedetti PG. Microscopic Origin of Hysteresis in Water Sorption on Protein Matrices. The Journal of Physical Chemistry Letters. PMID 28234480 DOI: 10.1021/Acs.Jpclett.7B00184  1
2017 Biddle JW, Singh RS, Sparano EM, Ricci F, González MA, Valeriani C, Abascal JL, Debenedetti PG, Anisimov MA, Caupin F. Two-structure thermodynamics for the TIP4P/2005 model of water covering supercooled and deeply stretched regions. The Journal of Chemical Physics. 146: 034502. PMID 28109212 DOI: 10.1063/1.4973546  1
2016 Altabet YE, Stillinger FH, Debenedetti PG. A cavitation transition in the energy landscape of simple cohesive liquids and glasses. The Journal of Chemical Physics. 145: 211905. PMID 28799356 DOI: 10.1063/1.4959846  1
2016 Latinwo F, Stillinger FH, Debenedetti PG. Molecular model for chirality phenomena. The Journal of Chemical Physics. 145: 154503. PMID 27782490 DOI: 10.1063/1.4964678  1
2016 Espinosa JR, Young JM, Jiang H, Gupta D, Vega C, Sanz E, Debenedetti PG, Panagiotopoulos AZ. On the calculation of solubilities via direct coexistence simulations: Investigation of NaCl aqueous solutions and Lennard-Jones binary mixtures. The Journal of Chemical Physics. 145: 154111. PMID 27782462 DOI: 10.1063/1.4964725  1
2016 Kim SB, Palmer JC, Debenedetti PG. Computational investigation of cold denaturation in the Trp-cage miniprotein. Proceedings of the National Academy of Sciences of the United States of America. PMID 27457961 DOI: 10.1073/Pnas.1607500113  1
2016 Uralcan B, Aksay IA, Debenedetti PG, Limmer DT. Concentration Fluctuations and Capacitive Response in Dense Ionic Solutions. The Journal of Physical Chemistry Letters. 2333-2338. PMID 27259040 DOI: 10.1021/Acs.Jpclett.6B00859  1
2016 Kim SB, Gupta DR, Debenedetti PG. Computational investigation of dynamical transitions in Trp-cage miniprotein powders. Scientific Reports. 6: 25612. PMID 27151767 DOI: 10.1038/Srep25612  1
2016 Cerdeiriña CA, Debenedetti PG. Water anomalous thermodynamics, attraction, repulsion, and hydrophobic hydration. The Journal of Chemical Physics. 144: 164501. PMID 27131551 DOI: 10.1063/1.4947062  1
2016 Singh RS, Biddle JW, Debenedetti PG, Anisimov MA. Two-state thermodynamics and the possibility of a liquid-liquid phase transition in supercooled TIP4P/2005 water. The Journal of Chemical Physics. 144: 144504. PMID 27083735 DOI: 10.1063/1.4944986  1
2016 Palmer JC, Martelli F, Liu Y, Car R, Panagiotopoulos AZ, Debenedetti PG. Palmer et al. reply. Nature. 531: E2-3. PMID 26961661 DOI: 10.1038/Nature16540  1
2016 Gianetti MM, Haji-Akbari A, Paula Longinotti M, Debenedetti PG. Computational investigation of structure, dynamics and nucleation kinetics of a family of modified Stillinger-Weber model fluids in bulk and free-standing thin films. Physical Chemistry Chemical Physics : Pccp. PMID 26778494 DOI: 10.1039/C5Cp06535F  1
2016 Palmer JC, Singh RS, Chen R, Martelli F, Debenedetti PG. Density and bond-orientational relaxations in supercooled water Molecular Physics. 1-6. DOI: 10.1080/00268976.2016.1179351  1
2016 Cai L, Pethica BA, Debenedetti PG, Sundaresan S. Formation of cyclopentane methane binary clathrate hydrate in brine solutions Chemical Engineering Science. 141: 125-132. DOI: 10.1016/J.Ces.2015.11.001  1
2015 Haji-Akbari A, Debenedetti PG. Thermodynamic and kinetic anisotropies in octane thin films. The Journal of Chemical Physics. 143: 214501. PMID 26646882 DOI: 10.1063/1.4935801  1
2015 Bozym DJ, Uralcan B, Limmer DT, Pope MA, Szamreta NJ, Debenedetti PG, Aksay IA. Anomalous Capacitance Maximum of the Glassy Carbon-Ionic Liquid Interface through Dilution with Organic Solvents. The Journal of Physical Chemistry Letters. 6: 2644-8. PMID 26266747 DOI: 10.1021/Acs.Jpclett.5B00899  1
2015 Haji-Akbari A, Debenedetti PG. Direct calculation of ice homogeneous nucleation rate for a molecular model of water. Proceedings of the National Academy of Sciences of the United States of America. PMID 26240318 DOI: 10.1073/Pnas.1509267112  1
2015 Remsing RC, Xi E, Vembanur S, Sharma S, Debenedetti PG, Garde S, Patel AJ. Pathways to dewetting in hydrophobic confinement. Proceedings of the National Academy of Sciences of the United States of America. PMID 26100866 DOI: 10.1073/Pnas.1503302112  1
2015 Kim SB, Dsilva CJ, Kevrekidis IG, Debenedetti PG. Systematic characterization of protein folding pathways using diffusion maps: application to Trp-cage miniprotein. The Journal of Chemical Physics. 142: 085101. PMID 25725756 DOI: 10.1063/1.4913322  1
2015 Kim SB, Palmer JC, Debenedetti PG. A computational study of the effect of matrix structural order on water sorption by Trp-cage miniproteins. The Journal of Physical Chemistry. B. 119: 1847-56. PMID 25583103 DOI: 10.1021/Jp510172W  1
2015 Chen M, Vella JR, Panagiotopoulos AZ, Debenedetti PG, Stillinger FH, Carter EA. Liquid li structure and dynamics: A comparison between OFDFT and second nearest-neighbor embedded-atom method Aiche Journal. DOI: 10.1002/Aic.14795  1
2015 Palmer JC, Debenedetti PG. Recent advances in molecular simulation: A chemical engineering perspective Aiche Journal. 61: 370-383. DOI: 10.1002/Aic.14706  1
2015 Debenedetti PG, Ricci MA, Bruni F. Preface Proceedings of the International School of Physics "Enrico Fermi". 187: XI-XIII.  1
2015 Debenedetti PG, Ricci MA, Bruni F. Water: Fundamentals as the Basis for Understanding the Environment and Promoting Technology Water: Fundamentals as the Basis For Understanding the Environment and Promoting Technology. 187: 1-245.  1
2014 Altabet YE, Debenedetti PG. The role of material flexibility on the drying transition of water between hydrophobic objects: a thermodynamic analysis. The Journal of Chemical Physics. 141: 18C531. PMID 25399196 DOI: 10.1063/1.4898366  1
2014 Daly KB, Panagiotopoulos AZ, Debenedetti PG, Benziger JB. Viscosity of Nafion oligomers as a function of hydration and counterion type: a molecular dynamics study. The Journal of Physical Chemistry. B. 118: 13981-91. PMID 25390642 DOI: 10.1021/Jp509061Z  1
2014 Haji-Akbari A, DeFever RS, Sarupria S, Debenedetti PG. Suppression of sub-surface freezing in free-standing thin films of a coarse-grained model of water. Physical Chemistry Chemical Physics : Pccp. 16: 25916-27. PMID 25354427 DOI: 10.1039/C4Cp03948C  1
2014 Harris RC, Pettitt BM. Effects of geometry and chemistry on hydrophobic solvation. Proceedings of the National Academy of Sciences of the United States of America. 111: 14681-6. PMID 25258413 DOI: 10.1073/Pnas.1406080111  1
2014 Vella JR, Stillinger FH, Panagiotopoulos AZ, Debenedetti PG. A Comparison of the Predictive Capabilities of the Embedded-Atom Method and Modified Embedded-Atom Method Potentials for Lithium. The Journal of Physical Chemistry. B. PMID 25192474 DOI: 10.1021/Jp5077752  1
2014 Haji-Akbari A, Debenedetti PG. The effect of substrate on thermodynamic and kinetic anisotropies in atomic thin films. The Journal of Chemical Physics. 141: 024506. PMID 25028026 DOI: 10.1063/1.4885365  1
2014 Daly KB, Benziger JB, Panagiotopoulos AZ, Debenedetti PG. Molecular dynamics simulations of water permeation across Nafion membrane interfaces. The Journal of Physical Chemistry. B. 118: 8798-807. PMID 24971638 DOI: 10.1021/Jp5024718  1
2014 Palmer JC, Martelli F, Liu Y, Car R, Panagiotopoulos AZ, Debenedetti PG. Metastable liquid-liquid transition in a molecular model of water. Nature. 510: 385-8. PMID 24943954 DOI: 10.1038/Nature13405  1
2014 Holten V, Palmer JC, Poole PH, Debenedetti PG, Anisimov MA. Two-state thermodynamics of the ST2 model for supercooled water. The Journal of Chemical Physics. 140: 104502. PMID 24628177 DOI: 10.1063/1.4867287  1
2014 Hatch HW, Stillinger FH, Debenedetti PG. Computational study of the stability of the miniprotein trp-cage, the GB1 β-hairpin, and the AK16 peptide, under negative pressure. The Journal of Physical Chemistry. B. 118: 7761-9. PMID 24559466 DOI: 10.1021/Jp410651U  1
2014 Altabet YE, Debenedetti PG. Publisher's Note: "The role of material flexibility on the drying transition of water between hydrophobic objects: A thermodynamic analysis" [J. Chem. Phys. 141, 18C531 (2014)] Journal of Chemical Physics. 141. DOI: 10.1063/1.4901427  1
2014 Cai L, Pethica BA, Debenedetti PG, Sundaresan S. Formation kinetics of cyclopentane-methane binary clathrate hydrate Chemical Engineering Science. 119: 147-157. DOI: 10.1016/J.Ces.2014.08.025  1
2013 Palmer JC, Car R, Debenedetti PG. The liquid-liquid transition in supercooled ST2 water: a comparison between umbrella sampling and well-tempered metadynamics. Faraday Discussions. 167: 77-94. PMID 24640486 DOI: 10.1039/C3Fd00074E  1
2013 Ricci F, Stillinger FH, Debenedetti PG. A computational investigation of attrition-enhanced chiral symmetry breaking in conglomerate crystals. The Journal of Chemical Physics. 139: 174503. PMID 24206312 DOI: 10.1063/1.4827478  1
2013 Daly KB, Benziger JB, Debenedetti PG, Panagiotopoulos AZ. Molecular dynamics simulations of water sorption in a perfluorosulfonic acid membrane. The Journal of Physical Chemistry. B. 117: 12649-60. PMID 24053430 DOI: 10.1021/Jp405440R  1
2013 Sharma S, Kumar SK, Buldyrev SV, Debenedetti PG, Rossky PJ, Stanley HE. A coarse-grained protein model in a water-like solvent. Scientific Reports. 3: 1841. PMID 23674146 DOI: 10.1038/Srep01841  1
2013 Shi Z, Debenedetti PG, Stillinger FH. Relaxation processes in liquids: variations on a theme by Stokes and Einstein. The Journal of Chemical Physics. 138: 12A526. PMID 23556777 DOI: 10.1063/1.4775741  1
2013 Dowdle JR, Buldyrev SV, Stanley HE, Debenedetti PG, Rossky PJ. Temperature and length scale dependence of solvophobic solvation in a single-site water-like liquid. The Journal of Chemical Physics. 138: 064506. PMID 23425478 DOI: 10.1063/1.4789981  1
2013 Ricci F, Stillinger FH, Debenedetti PG. Creation and persistence of chiral asymmetry in a microscopically reversible molecular model. The Journal of Physical Chemistry. B. 117: 602-14. PMID 23252709 DOI: 10.1021/Jp3093644  1
2013 Stillinger FH, Debenedetti PG. Glass transition thermodynamics and kinetics Annual Review of Condensed Matter Physics. 4: 263-285. DOI: 10.1146/Annurev-Conmatphys-030212-184329  1
2013 Giovambattista N, Debenedetti PG, Rossky PJ. Erratum: Enhanced surface hydrophobicity by coupling of surface polarity and topography (Proceedings of the National Academy of Sciences of the United States of America (2009) 106 (15181-15185) DOI: 10.1073/pnas.0905468106) Proceedings of the National Academy of Sciences of the United States of America. 110. DOI: 10.1073/Pnas.1304562110  1
2013 Debenedetti PG. Stretched to the limit Nature Physics. 9: 7-8. DOI: 10.1038/Nphys2496  1
2013 Liu Y, Lafitte T, Panagiotopoulos AZ, Debenedetti PG. Simulations of vapor-liquid phase equilibrium and interfacial tension in the CO2-H2O-NaCl system Aiche Journal. 59: 3514-3522. DOI: 10.1002/Aic.14042  1
2013 Debenedetti PG. Foreword Advances in Chemical Physics. 152: ix-xi.  1
2013 Cai L, Pethica BA, Debenedetti PG, Sundaresan S. Kinetic studies on binary clathrate hydrates Separations Division 2013 - Core Programming Area At the 2013 Aiche Annual Meeting: Global Challenges For Engineering a Sustainable Future. 901.  1
2013 Haji-Akbari A, Debenedetti PG. Homogeneous nucleation of ice in droplets and free-standing films of supercooled water Engineering Sciences and Fundamentals 2013 - Core Programming Area At the 2013 Aiche Annual Meeting: Global Challenges For Engineering a Sustainable Future. 2: 1043.  1
2012 Palmer JC, Debenedetti PG. Computer Simulation of Water Sorption on Flexible Protein Crystals. The Journal of Physical Chemistry Letters. 3: 2713-8. PMID 26295896 DOI: 10.1021/Jz301118G  1
2012 Sarupria S, Debenedetti PG. Homogeneous Nucleation of Methane Hydrate in Microsecond Molecular Dynamics Simulations. The Journal of Physical Chemistry Letters. 3: 2942-7. PMID 26292230 DOI: 10.1021/Jz3012113  1
2012 Liu Y, Palmer JC, Panagiotopoulos AZ, Debenedetti PG. Liquid-liquid transition in ST2 water. The Journal of Chemical Physics. 137: 214505. PMID 23231249 DOI: 10.1063/1.4769126  1
2012 Sharma S, Debenedetti PG. Free energy barriers to evaporation of water in hydrophobic confinement. The Journal of Physical Chemistry. B. 116: 13282-9. PMID 23075275 DOI: 10.1021/Jp308362H  1
2012 Ferguson AL, Giovambattista N, Rossky PJ, Panagiotopoulos AZ, Debenedetti PG. A computational investigation of the phase behavior and capillary sublimation of water confined between nanoscale hydrophobic plates. The Journal of Chemical Physics. 137: 144501. PMID 23061849 DOI: 10.1063/1.4755750  1
2012 Romero-Vargas Castrillón S, Matysiak S, Stillinger FH, Rossky PJ, Debenedetti PG. Thermal stability of hydrophobic helical oligomers: a lattice simulation study in explicit water. The Journal of Physical Chemistry. B. 116: 9963-70. PMID 22877080 DOI: 10.1021/Jp305134W  1
2012 Hatch HW, Debenedetti PG. Molecular modeling of mechanical stresses on proteins in glassy matrices: formalism. The Journal of Chemical Physics. 137: 035103. PMID 22830732 DOI: 10.1063/1.4734007  1
2012 Romero-Vargas Castrillón S, Matysiak S, Stillinger FH, Rossky PJ, Debenedetti PG. Phase behavior of a lattice hydrophobic oligomer in explicit water. The Journal of Physical Chemistry. B. 116: 9540-8. PMID 22823886 DOI: 10.1021/Jp3039237  1
2012 Matysiak S, Debenedetti PG, Rossky PJ. Role of hydrophobic hydration in protein stability: a 3D water-explicit protein model exhibiting cold and heat denaturation. The Journal of Physical Chemistry. B. 116: 8095-104. PMID 22725973 DOI: 10.1021/Jp3039175  1
2012 Giovambattista N, Rossky PJ, Debenedetti PG. Computational studies of pressure, temperature, and surface effects on the structure and thermodynamics of confined water. Annual Review of Physical Chemistry. 63: 179-200. PMID 22475337 DOI: 10.1146/Annurev-Physchem-032811-112007  1
2012 Sharma S, Debenedetti PG. Evaporation rate of water in hydrophobic confinement. Proceedings of the National Academy of Sciences of the United States of America. 109: 4365-70. PMID 22392972 DOI: 10.1073/Pnas.1116167109  1
2012 Su Z, Buldyrev SV, Debenedetti PG, Rossky PJ, Eugene Stanley H. Modeling simple amphiphilic solutes in a Jagla solvent. The Journal of Chemical Physics. 136: 044511. PMID 22299895 DOI: 10.1063/1.3677185  1
2012 Sarupria S, Debenedetti PG. Homogeneous nucleation of methane hydrate in microsecond molecular dynamics simulations Journal of Physical Chemistry Letters. 3: 2942-2947. DOI: 10.1021/jz3012113  1
2012 Palmer JC, Debenedetti PG. Computer simulation of water sorption on flexible protein crystals Journal of Physical Chemistry Letters. 3: 2713-2718. DOI: 10.1021/jz301118g  1
2012 Daly KB, Benziger JB, Debenedetti PG, Panagiotopoulos AZ. Massively parallel chemical potential calculation on graphics processing units Computer Physics Communications. 183: 2054-2062. DOI: 10.1016/J.Cpc.2012.05.006  1
2011 Debenedetti PG, Glotzer SC. Tribute to H. Eugene Stanley. The Journal of Physical Chemistry. B. 115: 13963-4. PMID 22129126 DOI: 10.1021/Jp209777C  1
2011 Matysiak S, Debenedetti PG, Rossky PJ. Dissecting the energetics of hydrophobic hydration of polypeptides. The Journal of Physical Chemistry. B. 115: 14859-65. PMID 22035038 DOI: 10.1021/Jp2079633  1
2011 Vega C, Abascal JL, Debenedetti PG. Physics and chemistry of water and ice. Physical Chemistry Chemical Physics : Pccp. 13: 19660-2. PMID 22009465 DOI: 10.1039/C1Cp90177J  1
2011 Stirnemann G, Castrillón SR, Hynes JT, Rossky PJ, Debenedetti PG, Laage D. Non-monotonic dependence of water reorientation dynamics on surface hydrophilicity: competing effects of the hydration structure and hydrogen-bond strength. Physical Chemistry Chemical Physics : Pccp. 13: 19911-7. PMID 21897944 DOI: 10.1039/C1Cp21916B  1
2011 Shi Z, Debenedetti PG, Stillinger FH, Ginart P. Structure, dynamics, and thermodynamics of a family of potentials with tunable softness. The Journal of Chemical Physics. 135: 084513. PMID 21895205 DOI: 10.1063/1.3627148  1
2011 Liu Y, Panagiotopoulos AZ, Debenedetti PG. Monte Carlo simulations of high-pressure phase equilibria of CO2-H2O mixtures. The Journal of Physical Chemistry. B. 115: 6629-35. PMID 21528884 DOI: 10.1021/Jp201520U  1
2011 Ferguson AL, Panagiotopoulos AZ, Debenedetti PG, Kevrekidis IG. Integrating diffusion maps with umbrella sampling: application to alanine dipeptide. The Journal of Chemical Physics. 134: 135103. PMID 21476776 DOI: 10.1063/1.3574394  1
2011 Shi Z, Debenedetti PG, Stillinger FH. Properties of model atomic free-standing thin films. The Journal of Chemical Physics. 134: 114524. PMID 21428649 DOI: 10.1063/1.3565480  1
2011 Sarupria S, Debenedetti PG. Molecular dynamics study of carbon dioxide hydrate dissociation. The Journal of Physical Chemistry. A. 115: 6102-11. PMID 21428428 DOI: 10.1021/Jp110868T  1
2011 Xu L, Giovambattista N, Buldyrev SV, Debenedetti PG, Stanley HE. Waterlike glass polyamorphism in a monoatomic isotropic Jagla model. The Journal of Chemical Physics. 134: 064507. PMID 21322705 DOI: 10.1063/1.3521486  1
2011 Lynden-Bell RM, Giovambattista N, Debenedetti PG, Head-Gordon T, Rossky PJ. Hydrogen bond strength and network structure effects on hydration of non-polar molecules. Physical Chemistry Chemical Physics : Pccp. 13: 2748-57. PMID 21152590 DOI: 10.1039/C0Cp01701A  1
2011 Cerdeiriña CA, Debenedetti PG, Rossky PJ, Giovambattista N. Evaporation length scales of confined water and some common organic liquids Journal of Physical Chemistry Letters. 2: 1000-1003. DOI: 10.1021/Jz200319G  1
2011 Romero-Vargas Castrillón S, Giovambattista N, Aksay IA, Debenedetti PG. Structure and energetics of thin film water Journal of Physical Chemistry C. 115: 4624-4635. DOI: 10.1021/Jp1083967  1
2011 Ferguson AL, Panagiotopoulos AZ, Kevrekidis IG, Debenedetti PG. Nonlinear dimensionality reduction in molecular simulation: The diffusion map approach Chemical Physics Letters. 509: 1-11. DOI: 10.1016/J.Cplett.2011.04.066  1
2011 Sharma S, Debenedetti PG. Liquid to vapor transition of water under hydrophobic confinement Aiche Annual Meeting, Conference Proceedings 1
2010 Hatch HW, Stillinger FH, Debenedetti PG. Chiral symmetry breaking in a microscopic model with asymmetric autocatalysis and inhibition. The Journal of Chemical Physics. 133: 224502. PMID 21171686 DOI: 10.1063/1.3511715  1
2010 Ferguson AL, Zhang S, Dikiy I, Panagiotopoulos AZ, Debenedetti PG, James Link A. An experimental and computational investigation of spontaneous lasso formation in microcin J25. Biophysical Journal. 99: 3056-65. PMID 21044604 DOI: 10.1016/J.Bpj.2010.08.073  1
2010 Ferguson AL, Panagiotopoulos AZ, Debenedetti PG, Kevrekidis IG. Systematic determination of order parameters for chain dynamics using diffusion maps. Proceedings of the National Academy of Sciences of the United States of America. 107: 13597-602. PMID 20643962 DOI: 10.1073/Pnas.1003293107  1
2010 Liu Y, Panagiotopoulos AZ, Debenedetti PG. Finite-size scaling study of the vapor-liquid critical properties of confined fluids: Crossover from three dimensions to two dimensions. The Journal of Chemical Physics. 132: 144107. PMID 20405985 DOI: 10.1063/1.3377089  1
2009 Debenedetti PG, Sarupria S. Chemistry. Hydrate molecular ballet. Science (New York, N.Y.). 326: 1070-1. PMID 19965416 DOI: 10.1126/Science.1183027  1
2009 Giovambattista N, Debenedetti PG, Rossky PJ. Enhanced surface hydrophobicity by coupling of surface polarity and topography. Proceedings of the National Academy of Sciences of the United States of America. 106: 15181-5. PMID 19706474 DOI: 10.1073/Pnas.0905468106  1
2009 Cho TY, Byrne N, Moore DJ, Pethica BA, Angell CA, Debenedetti PG. Structure-energy relations in hen egg white lysozyme observed during refolding from a quenched unfolded state. Chemical Communications (Cambridge, England). 4441-3. PMID 19597619 DOI: 10.1039/B907656E  1
2009 Romero-Vargas Castrillón S, Giovambattista N, Aksay IA, Debenedetti PG. Evolution from surface-influenced to bulk-like dynamics in nanoscopically confined water. The Journal of Physical Chemistry. B. 113: 7973-6. PMID 19449830 DOI: 10.1021/Jp9025392  1
2009 Giovambattista N, Rossky PJ, Debenedetti PG. Effect of temperature on the structure and phase behavior of water confined by hydrophobic, hydrophilic, and heterogeneous surfaces. The Journal of Physical Chemistry. B. 113: 13723-34. PMID 19435300 DOI: 10.1021/Jp9018266  1
2009 Lombardo TG, Stillinger FH, Debenedetti PG. Thermodynamic mechanism for solution phase chiral amplification via a lattice model. Proceedings of the National Academy of Sciences of the United States of America. 106: 15131-5. PMID 19416826 DOI: 10.1073/Pnas.0812867106  1
2009 Ferguson AL, Debenedetti PG, Panagiotopoulos AZ. Solubility and molecular conformations of n-alkane chains in water. The Journal of Physical Chemistry. B. 113: 6405-14. PMID 19361179 DOI: 10.1021/Jp811229Q  1
2009 Giovambattista N, Rossky PJ, Debenedetti PG. Phase transitions induced by nanoconfinement in liquid water. Physical Review Letters. 102: 050603. PMID 19257497 DOI: 10.1103/Physrevlett.102.050603  1
2009 Lombardo TG, Giovambattista N, Debenedetti PG. Structural and mechanical properties of glassy water in nanoscale confinement. Faraday Discussions. 141: 359-76; discussion 4. PMID 19227365 DOI: 10.1039/B805361H  1
2009 Romero-Vargas Castrillón S, Giovambattista N, Aksay IA, Debenedetti PG. Effect of surface polarity on the structure and dynamics of water in nanoscale confinement. The Journal of Physical Chemistry. B. 113: 1438-46. PMID 19143545 DOI: 10.1021/Jp809032N  1
2009 Liu Y, Panagiotopoulos AZ, Debenedetti PG. Low-temperature fluid-phase behavior of ST2 water Journal of Chemical Physics. 131. DOI: 10.1063/1.3229892  1
2008 Patel BA, Debenedetti PG, Stillinger FH, Rossky PJ. The effect of sequence on the conformational stability of a model heteropolymer in explicit water. The Journal of Chemical Physics. 128: 175102. PMID 18465941 DOI: 10.1063/1.2909974  1
2008 Chatterjee S, Debenedetti PG, Stillinger FH, Lynden-Bell RM. A computational investigation of thermodynamics, structure, dynamics and solvation behavior in modified water models. The Journal of Chemical Physics. 128: 124511. PMID 18376947 DOI: 10.1063/1.2841127  1
2008 Giovambattista N, Lopez CF, Rossky PJ, Debenedetti PG. Hydrophobicity of protein surfaces: Separating geometry from chemistry. Proceedings of the National Academy of Sciences of the United States of America. 105: 2274-9. PMID 18268339 DOI: 10.1073/Pnas.0708088105  1
2008 Lombardo TG, Stillinger FH, Debenedetti PG. Phase behavior of a two-dimensional chiral lattice model Aiche Annual Meeting, Conference Proceedings 1
2007 Yan Z, Buldyrev SV, Kumar P, Giovambattista N, Debenedetti PG, Stanley HE. Structure of the first- and second-neighbor shells of simulated water: quantitative relation to translational and orientational order. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 76: 051201. PMID 18233643 DOI: 10.1103/Physreve.76.051201  1
2007 Buldyrev SV, Kumar P, Debenedetti PG, Rossky PJ, Stanley HE. Water-like solvation thermodynamics in a spherically symmetric solvent model with two characteristic lengths. Proceedings of the National Academy of Sciences of the United States of America. 104: 20177-82. PMID 18077365 DOI: 10.1073/Pnas.0708427104  1
2007 Patel BA, Debenedetti PG, Stillinger FH. Method for efficient computation of the density of states in water-explicit biopolymer simulations on a lattice. The Journal of Physical Chemistry. A. 111: 12651-8. PMID 17990863 DOI: 10.1021/Jp0761970  1
2007 Patel BA, Debenedetti PG, Stillinger FH, Rossky PJ. A water-explicit lattice model of heat-, cold-, and pressure-induced protein unfolding. Biophysical Journal. 93: 4116-27. PMID 17766342 DOI: 10.1529/Biophysj.107.108530  1
2007 Giovambattista N, Debenedetti PG, Rossky PJ. Effect of surface polarity on water contact angle and interfacial hydration structure. The Journal of Physical Chemistry. B. 111: 9581-7. PMID 17658789 DOI: 10.1021/Jp071957S  1
2007 Chakravarty C, Debenedetti PG, Stillinger FH. Lindemann measures for the solid-liquid phase transition. The Journal of Chemical Physics. 126: 204508. PMID 17552779 DOI: 10.1063/1.2737054  1
2007 O'Connor TF, Debenedetti PG, Carbeck JD. Stability of proteins in the presence of carbohydrates; experiments and modeling using scaled particle theory. Biophysical Chemistry. 127: 51-63. PMID 17234323 DOI: 10.1016/J.Bpc.2006.12.004  1
2007 Giovambattista N, Debenedetti PG, Rossky PJ. Hydration behavior under confinement by nanoscale surfaces with patterned hydrophobicity and hydrophilicity Journal of Physical Chemistry C. 111: 1323-1332. DOI: 10.1021/Jp065419B  1
2006 Chatterjee S, Debenedetti PG, Stillinger FH. Scaled particle theory for hard sphere pairs. II. Numerical analysis. The Journal of Chemical Physics. 125: 204505. PMID 17144713 DOI: 10.1063/1.2374890  1
2006 Stillinger FH, Debenedetti PG, Chatterjee S. Scaled particle theory for hard sphere pairs. I. Mathematical structure. The Journal of Chemical Physics. 125: 204504. PMID 17144712 DOI: 10.1063/1.2374889  1
2006 Lombardo TG, Debenedetti PG, Stillinger FH. Computational probes of molecular motion in the Lewis-Wahnstrom model for ortho-terphenyl. The Journal of Chemical Physics. 125: 174507. PMID 17100454 DOI: 10.1063/1.2371111  1
2006 Yan Z, Buldyrev SV, Giovambattista N, Debenedetti PG, Stanley HE. Family of tunable spherically symmetric potentials that span the range from hard spheres to waterlike behavior. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 73: 051204. PMID 16802925 DOI: 10.1103/Physreve.73.051204  1
2006 Giovambattista N, Rossky PJ, Debenedetti PG. Effect of pressure on the phase behavior and structure of water confined between nanoscale hydrophobic and hydrophilic plates. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 73: 041604. PMID 16711818 DOI: 10.1103/Physreve.73.041604  1
2006 Debenedetti PG. Thermodynamics: when a phase is born. Nature. 441: 168-9. PMID 16688164 DOI: 10.1038/441168A  1
2006 Chatterjee S, Debenedetti PG. Fluid-phase behavior of binary mixtures in which one component can have two critical points. The Journal of Chemical Physics. 124: 154503. PMID 16674238 DOI: 10.1063/1.2188402  1
2006 Shell MS, Debenedetti PG, Panagiotopoulos AZ. Computational characterization of the sequence landscape in simple protein alphabets. Proteins. 62: 232-43. PMID 16284961 DOI: 10.1002/Prot.20714  1
2006 Lee SL, Hafeman AE, Debenedetti PG, Pethica BA, Moore DJ. Solid-state stabilization of α-chymotrypsin and catalase with carbohydrates Industrial and Engineering Chemistry Research. 45: 5134-5147. DOI: 10.1021/Ie0513503  1
2006 Zhang Y, Debenedetti PG, Prud'homme RK, Pethica BA. Accurate prediction of clathrate hydrate phase equilibria below 300 K from a simple model Journal of Petroleum Science and Engineering. 51: 45-53. DOI: 10.1016/J.Petrol.2005.11.008  1
2006 Scott Shell M, Debenedetti PG, Panagiotopoulos AZ. A conformal solution theory for the energy landscape and glass transition of mixtures Fluid Phase Equilibria. 241: 147-154. DOI: 10.1016/J.Fluid.2005.11.002  1
2005 Shell MS, Debenedetti PG, Stillinger FH. Novel computational probes of diffusive motion. The Journal of Physical Chemistry. B. 109: 21329-33. PMID 16853766 DOI: 10.1021/Jp0517145  1
2005 Stillinger FH, Debenedetti PG. Alternative view of self-diffusion and shear viscosity. The Journal of Physical Chemistry. B. 109: 6604-9. PMID 16851741 DOI: 10.1021/Jp0456584  1
2005 Lynden-Bell RM, Debenedetti PG. Computational investigation of order, structure, and dynamics in modified water models. The Journal of Physical Chemistry. B. 109: 6527-34. PMID 16851733 DOI: 10.1021/Jp0458553  1
2005 Chakravarty C, Debenedetti PG, Stillinger FH. Generating inherent structures of liquids: comparison of local minimization algorithms. The Journal of Chemical Physics. 123: 206101. PMID 16351322 DOI: 10.1063/1.2129327  1
2005 Chatterjee S, Ashbaugh HS, Debenedetti PG. Effects of nonpolar solutes on the thermodynamic response functions of aqueous mixtures. The Journal of Chemical Physics. 123: 164503. PMID 16268708 DOI: 10.1063/1.2075127  1
2005 Giovambattista N, Debenedetti PG, Sciortino F, Stanley HE. Structural order in glassy water. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 71: 061505. PMID 16089741 DOI: 10.1103/Physreve.71.061505  1
2005 Lee SL, Debenedetti PG, Errington JR. A computational study of hydration, solution structure, and dynamics in dilute carbohydrate solutions. The Journal of Chemical Physics. 122: 204511. PMID 15945756 DOI: 10.1063/1.1917745  1
2005 Gupta PK, La Nave E, Sciortino F, Tartaglia P, Shell MS, Debenedetti PG. Comment on "Test of nonequilibrium thermodynamics in glassy systems: The soft-sphere case" Physical Review E - Statistical, Nonlinear, and Soft Matter Physics. 71. DOI: 10.1103/PhysRevE.71.033101  1
2005 Shell MS, Debenedetti PG, Stillinger FH. Dynamic heterogeneity and non-Gaussian behaviour in a model supercooled liquid Journal of Physics Condensed Matter. 17: S4035-S4046. DOI: 10.1088/0953-8984/17/49/002  1
2005 Chakraborty AK, Debenedetti PG, Ottino JM, Davis ME, Keasling JD, Deem MW, Wittrup KD, Anseth K, Futran M, Georgiou G, Hammer DA, Stephanopoulos G. Preface to perspectives Aiche Journal. 51: 3082. DOI: 10.1002/Aic.10728  1
2005 Debenedetti PG. Structure, dynamics and thermodynamics in complex systems: Theoretical challenges and opportunities Aiche Journal. 51: 2391-2395. DOI: 10.1002/Aic.10657  1
2005 Debenedetti PG, Ottino JM, Chakraborty AK. AIChE Journal: Preface to Perspectives Aiche Journal. 51: 2370. DOI: 10.1002/Aic.10656  1
2005 Chatterjee S, Debenedetti PG. Relationship between supercooled water's phase behavior and that of its binary mixtures with non-polar solutes Aiche Annual Meeting, Conference Proceedings. 10756.  1
2005 Giovambattista N, Debenedetti PG. Computational study of structure and dynamics of water near surfaces with controlled hydrophobicity Aiche Annual Meeting, Conference Proceedings. 364.  1
2005 Shell MS, Debenedetti PG, Panagiotopoulos AZ. Characterization of protein sequence landscapes using flat-histogram Monte Carlo algorithms Aiche Annual Meeting, Conference Proceedings. 10511.  1
2005 Shell MS, Stillinger FH, Lombardo T, Debenedetti PG. Novel computational probes of diffusive motion Aiche Annual Meeting, Conference Proceedings. 9698.  1
2005 O'Connor TF, Debenedetti PG, Carbeck JD. Determination of the effects of carbohydrates on protein stability and structure Aiche Annual Meeting, Conference Proceedings. 590.  1
2004 O'Connor TF, Debenedetti PG, Carbeck JD. Simultaneous determination of structural and thermodynamic effects of carbohydrate solutes on the thermal stability of ribonuclease A. Journal of the American Chemical Society. 126: 11794-5. PMID 15382905 DOI: 10.1021/Ja0481777  1
2004 Shell MS, Debenedetti PG. Thermodynamics and the glass transition in model energy landscapes. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 69: 051102. PMID 15244803 DOI: 10.1103/Physreve.69.051102  1
2004 Shell MS, Debenedetti PG, Panagiotopoulos AZ. Saddles in the energy landscape: extensivity and thermodynamic formalism. Physical Review Letters. 92: 035506. PMID 14753888 DOI: 10.1103/Physrevlett.92.035506  1
2004 Debenedetti PG. Reply to comment on 'supercooled and glassy water' Journal of Physics Condensed Matter. 16: 6815-6817. DOI: 10.1088/0953-8984/16/37/N02  1
2004 Shell MS, Debenedetti PG, Panagiotopoulos AZ. Flat-histogram dynamics and optimization in density of states simulations of fluids Journal of Physical Chemistry B. 108: 19748-19755. DOI: 10.1021/Jp047677J  1
2004 Zhang Y, Debenedetti PG, PruD'Homme RK, Pethica BA. Differential scanning calorimetry studies of clathrate hydrate formation Journal of Physical Chemistry B. 108: 16717-16722. DOI: 10.1021/Jp047421D  1
2004 Shell MS, Debenedetti PG, Stillinger FH. Inherent-structure view of self-diffusion in liquids Journal of Physical Chemistry B. 108: 6772-6777. DOI: 10.1021/Jp0372800  1
2004 Lee SL, Debenedetti PG, Errington JR, Pethica BA, Moore DJ. A calorimetric and spectroscopic study of DNA at low hydration Journal of Physical Chemistry B. 108: 3098-3106. DOI: 10.1021/Jp0311409  1
2004 Chen L, Debenedetti PG, Gear CW, Kevrekidis IG. From molecular dynamics to coarse self-similar solutions: A simple example using equation-free computation Journal of Non-Newtonian Fluid Mechanics. 120: 215-223. DOI: 10.1016/J.Jnnfm.2003.12.007  1
2003 La Nave E, Sciortino F, Tartaglia P, Shell MS, Debenedetti PG. Test of nonequilibrium thermodynamics in glassy systems: the soft-sphere case. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 68: 032103. PMID 14524813 DOI: 10.1103/Physreve.68.032103  1
2003 Stillinger FH, Debenedetti PG. Phase transitions, Kauzmann curves, and inverse melting. Biophysical Chemistry. 105: 211-20. PMID 14499893 DOI: 10.1016/S0301-4622(03)00089-9  1
2003 Debenedetti PG. Supercooled and glassy water Journal of Physics Condensed Matter. 15: R1669-R1726. DOI: 10.1088/0953-8984/15/45/R01  1
2003 Graziano G, Ashbaugh HS, Truskett TM, Debenedetti PG. Comment on "a simple molecular thermodynamic theory of hydrophobic hydration" [J. Chem. Phys. 116, 2907 (2002)] (multiple letters) Journal of Chemical Physics. 119: 10448-10451. DOI: 10.1063/1.1619937  1
2003 Shell MS, Debenedetti PG, Panagiotopoulos AZ. An improved Monte Carlo method for direct calculation of the density of states Journal of Chemical Physics. 119: 9406-9411. DOI: 10.1063/1.1615966  1
2003 Feeney MR, Debenedetti PG, Stillinger FH. A statistical mechanical model for inverse melting Journal of Chemical Physics. 119: 4582-4591. DOI: 10.1063/1.1593018  1
2003 Shell MS, Debenedetti PG, La Nave E, Sciortino F. Energy landscapes, ideal glasses, and their equation of state Journal of Chemical Physics. 118: 8821-8830. DOI: 10.1063/1.1566943  1
2003 Errington JR, Debenedetti PG, Torquato S. Quantification of order in the Lennard-Jones system Journal of Chemical Physics. 118: 2256-2263. DOI: 10.1063/1.1532344  1
2003 Shen VK, Debenedetti G. A kinetic theory of homogeneous bubble nucleation Journal of Chemical Physics. 118: 768-783. DOI: 10.1063/1.1526836  1
2003 Debenedetti PG, Stillinger FH, Scott Shell M. Model Energy Landscapes Journal of Physical Chemistry B. 107: 14434-14442. DOI: 10.1021/Jp030885B  1
2003 Feeney MR, Debenedetti PG. A Theoretical Study of the Interfacial Properties of Supercooled Water Industrial and Engineering Chemistry Research. 42: 6396-6405. DOI: 10.1021/Ie030361Y  1
2003 Chávez F, Debenedetti PG, Luo JJ, Dave RN, Pfeffer R. Estimation of the characteristic time scales in the supercritical antisolvent process Industrial and Engineering Chemistry Research. 42: 3156-3162. DOI: 10.1021/Ie021048J  1
2002 Shell MS, Debenedetti PG, Panagiotopoulos AZ. Generalization of the Wang-Landau method for off-lattice simulations. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 66: 056703. PMID 12513633 DOI: 10.1103/Physreve.66.056703  1
2002 Errington JR, Debenedetti PG, Torquato S. Cooperative origin of low-density domains in liquid water. Physical Review Letters. 89: 215503. PMID 12443425 DOI: 10.1103/Physrevlett.89.215503  1
2002 Shell MS, Debenedetti PG, Panagiotopoulos AZ. Molecular structural order and anomalies in liquid silica. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 66: 011202. PMID 12241346 DOI: 10.1103/Physreve.66.011202  1
2002 Truskett TM, Debenedetti PG, Torquato S, Giaya A, Thompson RW. Comment on "observations on an equation of state for water confined in narrow slit-pores" [J. Chem. Phys. 116, 2565 (2002)] (multiple letters) Journal of Chemical Physics. 117: 8162-8165. DOI: 10.1063/1.1512279  1
2002 Ashbaugh HS, Truskett TM, Debenedetti PG. A simple molecular thermodynamic theory of hydrophobic hydration Journal of Chemical Physics. 116: 2907-2921. DOI: 10.1063/1.1436479  1
2002 Stillinger FH, Debenedetti PG. Energy landscape diversity and supercooled liquid properties Journal of Chemical Physics. 116: 3353-3361. DOI: 10.1063/1.1434997  1
2002 Shen VK, Debenedetti PG, Stillinger FH. Energy landscape and isotropic tensile strength of n-alkane glasses Journal of Physical Chemistry B. 106: 10447-10459. DOI: 10.1021/Jp021247G  1
2002 Weber M, Russell LM, Debenedetti PG. Mathematical modeling of nucleation and growth of particles formed by the rapid expansion of a supercritical solution under subsonic conditions Journal of Supercritical Fluids. 23: 65-80. DOI: 10.1016/S0896-8446(01)00134-6  1
2002 Roberts CJ, Debenedetti PG. Engineering pharmaceutical stability with amorphous solids Aiche Journal. 48: 1140-1144. DOI: 10.1002/Aic.690480602  1
2001 Greasley PJ, Fanelli F, Scheer A, Abuin L, Nenniger-Tosato M, DeBenedetti PG, Cotecchia S. Mutational and computational analysis of the alpha(1b)-adrenergic receptor. Involvement of basic and hydrophobic residues in receptor activation and G protein coupling. The Journal of Biological Chemistry. 276: 46485-94. PMID 11585821 DOI: 10.1074/jbc.M105791200  1
2001 Debenedetti PG, Stillinger FH. Supercooled liquids and the glass transition. Nature. 410: 259-67. PMID 11258381 DOI: 10.1038/35065704  1
2001 Errington JR, Debenedetti PG. Relationship between structural order and the anomalies of liquid water. Nature. 409: 318-21. PMID 11201735 DOI: 10.1038/35053024  1
2001 Utz M, Debenedetti PG, Stillinger FH. Isotropic tensile strength of molecular glasses Journal of Chemical Physics. 114: 10049-10057. DOI: 10.1063/1.1370958  1
2001 Shen VK, Debenedetti PG. Density-functional study of homogeneous bubble nucleation in the stretched Lennard-Jones fluid Journal of Chemical Physics. 114: 4149-4159. DOI: 10.1063/1.1344604  1
2001 Truskett TM, Debenedetti PG, Torquato S. Thermodynamic implications of confinement for a waterlike fluid Journal of Chemical Physics. 114: 2401-2418. DOI: 10.1063/1.1336569  1
2001 Stillinger FH, Debenedetti PG, Truskett TM. The Kauzmann paradox revisited Journal of Physical Chemistry B. 105: 11809-11816. DOI: 10.1021/Jp011840I  1
2001 Feeney M, Brown C, Tsai A, Neumann D, Debenedetti PG. Incoherent quasi-elastic neutron scattering from fructose-water solutions Journal of Physical Chemistry B. 105: 7799-7804. DOI: 10.1021/Jp010566P  1
2001 Debenedetti PG, Truskett TM, Lewis CP, Stillinger FH. Theory of supercooled liquids and glasses: Energy landscape and statistical geometry perspectives Advances in Chemical Engineering. 28: 21-79. DOI: 10.1016/S0065-2377(01)28003-X  1
2000 Truskett TM, Torquato S, Debenedetti PG. Towards a quantification of disorder in materials: distinguishing equilibrium and glassy sphere packings Physical Review. E, Statistical Physics, Plasmas, Fluids, and Related Interdisciplinary Topics. 62: 993-1001. PMID 11088556 DOI: 10.1103/Physreve.62.993  1
2000 Vishnyakov A, Debenedetti PG, Neimark AV. Statistical geometry of cavities in a metastable confined fluid Physical Review. E, Statistical Physics, Plasmas, Fluids, and Related Interdisciplinary Topics. 62: 538-44. PMID 11088490 DOI: 10.1103/Physreve.62.538  1
2000 Utz M, Debenedetti PG, Stillinger FH. Atomistic simulation of aging and rejuvenation in glasses Physical Review Letters. 84: 1471-4. PMID 11017545 DOI: 10.1103/Physrevlett.84.1471  1
2000 Torquato S, Truskett TM, Debenedetti PG. Is random close packing of spheres well defined? Physical Review Letters. 84: 2064-7. PMID 11017210 DOI: 10.1103/Physrevlett.84.2064  1
2000 Stillinger FH, Stillinger DK, Torquato S, Truskett TM, Debenedetti PG. Equation of state of the rigid disk fluid from its triangle distribution Journal of Chemical Physics. 113: 10186-10190. DOI: 10.1063/1.1322361  1
2000 Stillinger DK, Stillinger FH, Torquato S, Truskett TM, Debenedetti PG. Triangle distribution and equation of state for classical rigid disks Journal of Statistical Physics. 100: 49-72. DOI: 10.1023/A:1018675208867  1
2000 Werling JO, Debenedetti PG. Numerical modeling of mass transfer in the supercritical antisolvent process: Miscible conditions Journal of Supercritical Fluids. 18: 11-24. DOI: 10.1016/S0896-8446(00)00054-1  1
1999 Winters MA, Frankel DZ, Debenedetti PG, Carey J, Devaney M, Przybycien TM. Protein purification with vapor-phase carbon dioxide. Biotechnology and Bioengineering. 62: 247-58. PMID 10099536 DOI: 10.1002/(Sici)1097-0290(19990205)62:3<247::Aid-Bit1>3.0.Co;2-S  1
1999 Shen VK, Debenedetti PG. A computational study of homogeneous liquid-vapor nucleation in the Lennard-Jones fluid Journal of Chemical Physics. 111: 3581-3589. DOI: 10.1063/1.479639  1
1999 Debenedetti PG, Stillinger FH, Truskett TM, Roberts CJ. The equation of state of an energy landscape Journal of Physical Chemistry B. 103: 7390-7397. DOI: 10.1021/Jp991384M  1
1999 Roberts CJ, Debenedetti PG. Structure and dynamics in concentrated, amorphous carbohydrate-water systems by molecular dynamics simulation Journal of Physical Chemistry B. 103: 7308-7318. DOI: 10.1021/Jp9911548  1
1999 Stillinger FH, Debenedetti PG. Distinguishing vibrational and structural equilibration contributions to thermal expansion Journal of Physical Chemistry B. 103: 4052-4059. DOI: 10.1021/Jp983831O  1
1999 Sastry S, Debenedetti PG, Stillinger FH, Schrøder TB, Dyre JC, Glotzer SC. Potential energy landscape signatures of slow dynamics in glass forming liquids Physica a: Statistical Mechanics and Its Applications. 270: 301-308. DOI: 10.1016/S0378-4371(99)00259-9  1
1999 Debenedetti PG, Truskett TM. The statistical geometry of voids in liquids Fluid Phase Equilibria. 158: 549-556. DOI: 10.1016/S0378-3812(99)00135-1  1
1999 Yentekakis IV, Debenedetti PG, Costa B, Konsolakis M, Kiousis V. Direct coal gasification with simultaneous production of electricity in a novel fused metal anode SOFC: A theoretical approach Ionics. 5: 460-471. DOI: 10.1007/Bf02376014  1
1999 Roberts CJ, Debenedetti PG, Stilling FH. Equation of state of the energy landscape of SPC/E water Journal of Physical Chemistry B. 103: 10258-10265.  1
1999 Truskett TM, Debenedetti PG, Sastry S, Torquato S. A single-bond approach to orientation-dependent interactions and its implications for liquid water Journal of Chemical Physics. 111: 2647-2651.  1
1998 Truskett TM, Torquato S, Sastry S, Debenedetti PG, Stillinger FH. Structural precursor to freezing in the hard-disk and hard-sphere systems Physical Review E - Statistical Physics, Plasmas, Fluids, and Related Interdisciplinary Topics. 58: 3083-3088. DOI: 10.1103/Physreve.58.3083  1
1998 Corti DS, Debenedetti PG. Statistical mechanics of fluids under internal constraints: Rigorous results for the one-dimensional hard rod fluid Physical Review E - Statistical Physics, Plasmas, Fluids, and Related Interdisciplinary Topics. 57: 4211-4226. DOI: 10.1103/Physreve.57.4211  1
1998 Sastry S, Truskett TM, Debenedetti PG, Torquato S, Stillinger FH. Free volume in the hard sphere liquid Molecular Physics. 95: 289-297. DOI: 10.1080/00268979809483161  1
1998 Layn KM, Debenedetti PG, Prud'homme RK. A theoretical study of Gemini surfactant phase behavior Journal of Chemical Physics. 109: 5651-5658. DOI: 10.1063/1.477183  1
1998 Stillinger FH, Debenedetti PG, Sastry S. Resolving vibrational and structural contributions to isothermal compressibility Journal of Chemical Physics. 109: 3983-3988. DOI: 10.1063/1.476997  1
1998 Rebelo LPN, Debenedetti PG, Sastry S. Singularity-free interpretation of the thermodynamics of supercooled water. II. Thermal and volumetric behavior Journal of Chemical Physics. 109: 626-633. DOI: 10.1063/1.476600  1
1998 Debenedetti PG, Reiss H. Reversible work of formation of an embryo of a new phase within a uniform macroscopic mother phase Journal of Chemical Physics. 108: 5498-5505. DOI: 10.1063/1.475938  1
1998 Debenedetti PG. One substance, two liquids? Nature. 392: 127-129. DOI: 10.1038/32286  1
1998 Sastry S, Debenedetti PG, Stillinger FH. Signatures of distinct dynamical regimes in the energy landscape of a glass-forming liquid Nature. 393: 554-557. DOI: 10.1038/31189  1
1998 Maranas JK, Kumar SK, Debenedetti PG, Graessley WW, Mondello M, Grest GS. Liquid structure, thermodynamics, and mixing behavior of saturated hydrocarbon polymers. 2. Pair distribution functions and the regularity of mixing Macromolecules. 31: 6998-7002. DOI: 10.1021/Ma971756U  1
1998 Maranas JK, Mondello M, Grest GS, Kumar SK, Debenedetti PG, Graessley WW. Liquid structure, thermodynamics, and mixing behavior of saturated hydrocarbon polymers. 1. Cohesive energy density and internal pressure Macromolecules. 31: 6991-6997. DOI: 10.1021/Ma9717552  1
1998 Roberts CJ, Karayiannakis GA, Debenedetti PG. Liquid-liquid immiscibility in single-component network-forming fluids: model calculations and implications for polyamorphism in water Industrial and Engineering Chemistry Research. 37: 3012-3020. DOI: 10.1021/Ie970891S  1
1998 Maranas JK, Mondello M, Grest GS, Kumar S, Debenedetti PG, Graessley WW. A molecular dynamics study of intermolecular structure, thermodynamics and miscibility in hydrocarbon polymers Computers and Chemical Engineering. 22: S19-S26. DOI: 10.1016/S0098-1354(98)00034-9  1
1998 Londono JD, Maranas JK, Mondello M, Habenschuss A, Grest GS, Debenedetti PG, Graessley WW, Kumar SK. Chain-packing effects in the thermodynamics of polymers Journal of Polymer Science, Part B: Polymer Physics. 36: 3001-3005. DOI: 10.1002/(Sici)1099-0488(19981130)36:16<3001::Aid-Polb14>3.0.Co;2-H  1
1998 Truskett TM, Torquato S, Debenedetti PG. Density fluctuations in many-body systems Physical Review E - Statistical Physics, Plasmas, Fluids, and Related Interdisciplinary Topics. 58: 7369-7380.  1
1997 Winters MA, Debenedetti PG, Carey J, Sparks HG, Sane SU, Przybycien TM. Long-term and high-temperature storage of supercritically-processed microparticulate protein powders. Pharmaceutical Research. 14: 1370-8. PMID 9358549 DOI: 10.1023/A:1012112503590  1
1997 Sastry S, Debenedetti PG, Stillinger FH. Statistical geometry of particle packings. II. "Weak spots" in liquids Physical Review E - Statistical Physics, Plasmas, Fluids, and Related Interdisciplinary Topics. 56: 5533-5543. DOI: 10.1103/Physreve.56.5533  1
1997 Sastry S, Corti DS, Debenedetti PG, Stillinger FH. Statistical geometry of particle packings. I. Algorithm for exact determination of connectivity, volume, and surface areas of void space in monodisperse and polydisperse sphere packings Physical Review E - Statistical Physics, Plasmas, Fluids, and Related Interdisciplinary Topics. 56: 5524-5532. DOI: 10.1103/Physreve.56.5524  1
1997 Corti DS, Debenedetti PG, Sastry S, Stillinger FH. Constraints, metastability, and inherent structures in liquids Physical Review E - Statistical Physics, Plasmas, Fluids, and Related Interdisciplinary Topics. 55: 5522-5534. DOI: 10.1103/Physreve.55.5522  1
1997 Taylor-Maranas JK, Debenedetti PG, Graessley WW, Kumar SK. Compressibility effects in neutron scattering by polymer blends Macromolecules. 30: 6943-6946. DOI: 10.1021/Ma970529P  1
1996 Roberts CJ, Panagiotopoulos AZ, Debenedetti PG. Liquid-Liquid Immiscibility in Pure Fluids: Polyamorphism in Simulations of a Network-Forming Fluid. Physical Review Letters. 77: 4386-4389. PMID 10062525 DOI: 10.1103/Physrevlett.77.4386  1
1996 Sastry S, Debenedetti PG, Sciortino F, Stanley HE. Singularity-free interpretation of the thermodynamics of supercooled water. Physical Review. E, Statistical Physics, Plasmas, Fluids, and Related Interdisciplinary Topics. 53: 6144-6154. PMID 9964976 DOI: 10.1103/Physreve.53.6144  1
1996 Winters MA, Knutson BL, Debenedetti PG, Sparks HG, Przybycien TM, Stevenson CL, Prestrelski SJ. Precipitation of proteins in supercritical carbon dioxide. Journal of Pharmaceutical Sciences. 85: 586-94. PMID 8773954 DOI: 10.1021/Js950482Q  1
1996 Connolly M, Debenedetti PG, Tung HH. Freeze crystallization of imipenem. Journal of Pharmaceutical Sciences. 85: 174-7. PMID 8683444 DOI: 10.1021/Js9502433  0.32
1996 Eckert CA, Knutson BL, Debenedetti PG. Supercritical fluids as solvents for chemical and materials processing Nature. 383: 313-318. DOI: 10.1038/383313A0  1
1996 Taylor JK, Debenedetti PG, Graessley WW, Kumar SK. Compressibility effects in the analysis and interpretation of neutron scattering data from polymer blends Macromolecules. 29: 764-773. DOI: 10.1021/Ma9508562  1
1994 Yeo SD, Debendetti PG, Patro SY, Przybycien TM. Secondary structure characterization of microparticulate insulin powders. Journal of Pharmaceutical Sciences. 83: 1651-6. PMID 7891290 DOI: 10.1002/Jps.2600831203  1
1994 Corti DS, Debenedetti PG. A computational study of metastability in vapor-liquid equilibrium Chemical Engineering Science. 49: 2717-2734. DOI: 10.1016/0009-2509(94)E0093-6  1
1991 Chialvo AA, Debenedetti PG. Use of the McQuarrie equation for the computation of shear viscosity via equilibrium molecular dynamics. Physical Review. A. 43: 4289-4295. PMID 9905530 DOI: 10.1103/Physreva.43.4289  0.04
1991 Tom JW, Debenedetti PG. Formation of bioerodible polymeric microspheres and microparticles by rapid expansion of supercritical solutions. Biotechnology Progress. 7: 403-11. PMID 1369363 DOI: 10.1021/Bp00011A004  0.28
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