Pablo Debenedetti
Sessions chaired or co-chaired
William R. Schowalter Lecture
2019 AIChE Annual Meeting (ISBN: 978-0-8169-1112-7)
William R. Schowalter Lecture
2021 Annual Meeting (ISBN: 978-0-8169-1116-5)
William R. Schowalter Lecture
2022 Annual Meeting (ISBN: 978-0-8169-1118-9)
Authored
(433c) Structure, Dynamics and Thermodynamics of Water Confined by Surfaces with Patterned Hydrophobicity2006 Annual Meeting
(259h) Computational Investigation of Cold-, Heat-, and Pressure-Induced Protein Unfolding with an Explicit-Water Protein Model2006 Annual Meeting
(153g) Extension of Scaled Particle Theory: Statistical Mechanics of Hard Sphere Pairs2006 Annual Meeting
(362d) Novel Computational Probes of Diffusion in Supercooled Liquids and Their Application to Rotation-Translation Decoupling in O-Terphenyl2006 Annual Meeting
(109c) Computational Investigation Of Glassy Water In Nano-Scale Confinement2007 Annual Meeting
(385d) Effect Of Surface Polarity On The Contact Angle And Hydration Properties Of Water2007 Annual Meeting
(205a) Effect Of Sequence On Protein Stability: A Numerical Study Using Water-Explicit Lattice Models2007 Annual Meeting
(507d) Phase Behavior Of Water In Hydrophobic Nanoscale Confinement2007 Annual Meeting
(55a) Structural and Mechanical Properties of Glassy Water In Nanoscale Confinement2008 Annual Meeting
(253g) A Computational Investigation of the Solubility and Hydrophobic Collapse of Heavy N-Alkanes in Water2008 Annual Meeting
(253a) Phase Behavior of a Two-Dimensional Chiral Lattice Model2008 Annual Meeting
(331a) Influence of Surface Polarity and Confinement Length Scale On the Dynamics of a Nanoscopic Water Film2009 Annual Meeting
(387e) Computational Investigation of Glassy Water in Nano-Scale Confinement2009 Annual Meeting
(589d) Atomic-Level Stresses On Proteins Upon Vitrification2009 Annual Meeting
(422f) Systematic Identification of Relevant Order Parameters in Biophysical Systems2009 Annual Meeting
(102a) Maturation Mechanism of Microcin J25: Free Energy Analysis and Low-Dimensional Kinetics From Replica Exchange Molecular Dynamics Simulations2009 Annual Meeting
(774c) A Family of Systematically Softened Glass-Formers2011 Annual Meeting
(505b) Monte Carlo Simulations of High-Pressure Phase Equilibria of CO2-H2O Mixtures2011 Annual Meeting
(660c) Properties of Free Standing Films Composed of Lewis-Wahnström Ortho-Terphenyl Molecules2011 Annual Meeting
(591f) Relationship between Supercooled Water's Phase Behavior and That of Its Binary Mixtures with Non-Polar Solutes2005 Annual Meeting
(67e) Novel Computational Probes of Diffusive Motion2005 Annual Meeting
(73d) Computational Study of Structure and Dynamics of Water near Surfaces with Controlled Hydrophobicity2005 Annual Meeting
(139d) Determination of the Effects of Carbohydrates on Protein Stability and Structure2005 Annual Meeting
(456d) Characterization of Protein Sequence Landscapes Using Flat-Histogram Monte Carlo Algorithms2005 Annual Meeting
(665a) Destabilization of Proteins in Extreme Conditions: Molecular Simulations of the Denaturation of Trp-Cage Miniprotein
2016 AIChE Annual Meeting (ISBN: 978-0-8169-1097-7)
(715a) The Effect of Material Flexibility on the Drying Transition of Water Between Hydrophobic Objects: Thermodynamics and Kinetics
2016 AIChE Annual Meeting (ISBN: 978-0-8169-1097-7)
(156d) Thermodynamics and Statistical Mechanics of Drying at the Nano-Scale
2016 AIChE Annual Meeting (ISBN: 978-0-8169-1097-7)
(754c) Kinetics and Mechanism of Homogeneous Ice Nucleation in Freestanding Nanofilms of Supercooled Water
2016 AIChE Annual Meeting (ISBN: 978-0-8169-1097-7)
(715h) Molecular Model for Chirality Phenomena
2016 AIChE Annual Meeting (ISBN: 978-0-8169-1097-7)
(362a) Computational Studies of Mechanical Stresses On Proteins in the Glassy State2010 Annual Meeting
(308b) Microscopic Models of Chiral Amplification and Symmetry Breaking2010 Annual Meeting
(700e) Spontaneous Lasso Formation in Pro-Microcin J25: Replica Exchange Molecular Dynamics and Nonlinear Dimensionality Reduction2010 Annual Meeting
(550b) Integration of Umbrella Sampling and Nonlinear Dimensionality Reduction Using Diffusion Maps: Iterative Determination of the “Right” Order Parameters
2010 Annual Meeting
(123b) LOW TEMPERATURE FLUID-PHASE BEHAVIOR of ST2 Water2010 Annual Meeting
(715d) Finite Size Scaling Study of the Vapor-Liquid Critical Properties of Confined Fluids: Crossover From 3D to 2D2010 Annual Meeting
(123e) Properties of Free Standing Glassy Films2010 Annual Meeting
(70d) Molecular Dynamics Study of Carbon Dioxide Hydrate Decomposition2010 Annual Meeting
(433c) How Surface Affects Ice Nucleation: Water On Kaolinite Surface2010 Annual Meeting
(715e) Can Polar Surfaces Be Hydrophobic? Molecular Simulation Study of Model Silica Surfaces2010 Annual Meeting
(511a) Computational Study of the Stability of the Miniprotein Trp-Cage in Extreme Environments
2017 Annual Meeting (ISBN: 978-0-8169-1102-8)
(789a) Kinetic Studies On Binary Clathrate Hydrates
2013 AIChE Annual Meeting (ISBN: 978-0-8169-1110-3)
(336a) John Prausnitz, Humanist and Epistolarian
2013 AIChE Annual Meeting (ISBN: 978-0-8169-1110-3)
(577b) Thermodynamics and Simulation of the Negative Pressure Folding and Unfolding of Trp-Cage and GB1 Beta-Hairpin Miniproteins
2013 AIChE Annual Meeting (ISBN: 978-0-8169-1110-3)
(303e) Molecular Dynamics Simulations of Polymer Electrolyte Membrane Interfaces
2013 AIChE Annual Meeting (ISBN: 978-0-8169-1110-3)
(687e) Computer Simulation of Water Sorption On Flexible Protein Matrices
2013 AIChE Annual Meeting (ISBN: 978-0-8169-1110-3)
(208b) Free Energy Analysis of the Liquid-Liquid Transition in Supercooled ST2 Water
2013 AIChE Annual Meeting (ISBN: 978-0-8169-1110-3)
(173e) Structural and Dynamical Properties of Atomic Thin Films
2013 AIChE Annual Meeting (ISBN: 978-0-8169-1110-3)
(694a) Homogeneous Nucleation of Ice in Droplets and Free-Standing Films of Supercooled Water
2013 AIChE Annual Meeting (ISBN: 978-0-8169-1110-3)
(459a) Theory and Computation in Modern Chemical Engineering. A Thermodynamicist’s Perspective
2013 AIChE Annual Meeting (ISBN: 978-0-8169-1110-3)
(261i) A Computational Investigation Of Attrition-Enhanced Chiral Symmetry Breaking In Conglomerate Crystals
2013 AIChE Annual Meeting (ISBN: 978-0-8169-1110-3)
(189ax) Proteins in Extreme Environments: From Understanding Life to Potential Applications
2018 AIChE Annual Meeting (ISBN: 978-0-8169-1108-0)
(741e) Proteins at Extreme Conditions: From Understanding Life to Parctical Applications
2018 AIChE Annual Meeting (ISBN: 978-0-8169-1108-0)
(323e) Optimizing Antifreeze Protein Activity Via an Elitist Genetic Algorithm: A Comparison of High and Low Activity Variants
2019 AIChE Annual Meeting (ISBN: 978-0-8169-1112-7)
(256h) Molecular Modelling of Hydrophobic Ion Pairing Self Assembly for Nanoprecipitation: From Explicit Solvent United-Atom to Implicit Solvent Coarse Grain Simulations
2019 AIChE Annual Meeting (ISBN: 978-0-8169-1112-7)
(231b) Thermodynamics of Protein Folding Near the Low-Temperature Liquid-Liquid Transition in Water: A Case Study with the Trp-Cage Miniprotein
2019 AIChE Annual Meeting (ISBN: 978-0-8169-1112-7)
(225j) Quantification of DNA Hybridization Thermodynamics at the Atomistic Level
2019 AIChE Annual Meeting (ISBN: 978-0-8169-1112-7)
(409c) Computational Studies of DNA Hybridization
2019 AIChE Annual Meeting (ISBN: 978-0-8169-1112-7)
(379c) Effect of Trehalose on the Structure and Function of Aquaporin-1 Under Osmotic Stress from Molecular Simulation
2020 Virtual AIChE Annual Meeting (ISBN: 978-0-8169-1114-1)
(723h) Investigation of Low Temperature Protein Folding at Ambient and High Pressure Using Molecular Simulation
2020 Virtual AIChE Annual Meeting (ISBN: 978-0-8169-1114-1)
(252e) Long-Range Structural Features in the Amorphous Ices Could be a Signature of Criticality in Supercooled Liquid Water
2020 Virtual AIChE Annual Meeting (ISBN: 978-0-8169-1114-1)
(66d) Liquid-Liquid Phase Transition in Water from a Machine-Learning First Principles Force Field
2020 Virtual AIChE Annual Meeting (ISBN: 978-0-8169-1114-1)
(331b) Metastable Criticality in Realistic Classical Models of Water
2020 Virtual AIChE Annual Meeting (ISBN: 978-0-8169-1114-1)
(443a) Interconversion-Controlled Liquid-Liquid Phase Separation of a Molecular Chiral Model
2020 Virtual AIChE Annual Meeting (ISBN: 978-0-8169-1114-1)
(551b) Properties and Phase Behavior of Supercooled Water from First Principles
2021 Annual Meeting (ISBN: 978-0-8169-1116-5)
(212g) The Phase Behavior of Supercooled Water: Recent Computational Results
2021 Annual Meeting (ISBN: 978-0-8169-1116-5)
(451i) Vapor-Liquid-Liquid Phase Transition of a Chiral Tetramer Model
2021 Annual Meeting (ISBN: 978-0-8169-1116-5)
(131a) Thermodynamic Insights into the Reentrant Phase Behavior of a Copolymer Model
2022 Annual Meeting (ISBN: 978-0-8169-1118-9)
(9g) Metastable Liquid-Liquid Criticality in Supercooled Wail Water
2022 Annual Meeting (ISBN: 978-0-8169-1118-9)
Associated proceedings
2006 Annual Meeting
2007 Annual Meeting
2008 Annual Meeting
2009 Annual Meeting
2011 Annual Meeting
2005 Annual Meeting
2016 AIChE Annual Meeting
2010 Annual Meeting
2017 Annual Meeting
2013 AIChE Annual Meeting
2018 AIChE Annual Meeting
2019 AIChE Annual Meeting
2020 Virtual AIChE Annual Meeting
2021 Annual Meeting
2022 Annual Meeting