Pablo G Debenedetti

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 43

Top Topics

Molecular Dynamics Simulations

Particulate Matter

Top Venues

The Journal of chemical physics

Proceedings of the National Academy of Sciences of the United States of America

The journal of physical chemistry. B

The journal of physical chemistry letters

This page only lists publications with an associated author ORCID identifier.

Publications

Mikhail A Anisimov, Pablo G Debenedetti, Sandra C Greer, Michael R Moldover
Anneke Levelt Sengers: An international authority in the thermodynamics of fluids and a passionate advocate for women in science. Proceedings of the National Academy of Sciences of the United States of America 121 (35) (2024)
Mikhail A Anisimov, Pablo G Debenedetti, Sandra C Greer, Michael R Moldover
Anneke Levelt Sengers: An international authority in the thermodynamics of fluids and a passionate advocate for women in science. Proceedings of the National Academy of Sciences of the United States of America 121 (35) (2024)
Pablo M Piaggi, Annabella Selloni, Athanassios Z Panagiotopoulos, Roberto Car, Pablo G Debenedetti
A first-principles machine-learning force field for heterogeneous ice nucleation on microcline feldspar. Faraday discussions (2023)
Thomas J Longo, Nikolay A Shumovskyi, Betül Uralcan, Sergey V Buldyrev, Mikhail A Anisimov, Pablo G Debenedetti
Formation of dissipative structures in microscopic models of mixtures with species interconversion. Proceedings of the National Academy of Sciences of the United States of America 120 (1) (2022)
Pablo M Piaggi, Jack Weis, Athanassios Z Panagiotopoulos, Pablo G Debenedetti, Roberto Car
Homogeneous ice nucleation in an ab initio machine-learning model of water. Proceedings of the National Academy of Sciences of the United States of America 119 (33) (2022)
Thomas J Longo, Nikolay A Shumovskyi, Betül Uralcan, Sergey V Buldyrev, Mikhail A Anisimov, Pablo G Debenedetti
Formation of dissipative structures in microscopic models of mixtures with species interconversion. Proceedings of the National Academy of Sciences of the United States of America 120 (1) (2022)
Yiming Wang, Frank H Stillinger, Pablo G Debenedetti
Fluid-fluid phase transitions in a chiral molecular model. The Journal of chemical physics 157 (8) (2022)
Thomas J Longo, Nikolay A Shumovskyi, Betül Uralcan, Sergey V Buldyrev, Mikhail A Anisimov, Pablo G Debenedetti
Formation of dissipative structures in microscopic models of mixtures with species interconversion. Proceedings of the National Academy of Sciences of the United States of America 120 (1) (2022)
Thomas J Longo, Nikolay A Shumovskyi, Betül Uralcan, Sergey V Buldyrev, Mikhail A Anisimov, Pablo G Debenedetti
Formation of dissipative structures in microscopic models of mixtures with species interconversion. Proceedings of the National Academy of Sciences of the United States of America 120 (1) (2022)
Nikolai D Petsev, Arash Nikoubashman, Folarin Latinwo, Frank H Stillinger, Pablo G Debenedetti
Crystal Prediction via Genetic Algorithms in a Model Chiral System. The journal of physical chemistry. B 126 (39) (2022)
Thomas J Longo, Nikolay A Shumovskyi, Betül Uralcan, Sergey V Buldyrev, Mikhail A Anisimov, Pablo G Debenedetti
Formation of dissipative structures in microscopic models of mixtures with species interconversion. Proceedings of the National Academy of Sciences of the United States of America 120 (1) (2022)
Thomas E Gartner Iii, Kelly M Hunter, Eleftherios Lambros, Alessandro Caruso, Marc Riera, Gregory R Medders, Athanassios Z Panagiotopoulos, Pablo G Debenedetti, Francesco Paesani
Anomalies and Local Structure of Liquid Water from Boiling to the Supercooled Regime as Predicted by the Many-Body MB-pol Model. The journal of physical chemistry letters 13 (16) (2022)
Gül H Zerze, Pablo M Piaggi, Pablo G Debenedetti
A Computational Study of RNA Tetraloop Thermodynamics, Including Misfolded States. The journal of physical chemistry. B (2021)
Betul Uralcan, Thomas J Longo, Mikhail A Anisimov, Frank H Stillinger, Pablo G Debenedetti
Interconversion-controlled liquid-liquid phase separation in a molecular chiral model. The Journal of chemical physics 155 (20) (2021)
Thomas E Gartner Iii, Salvatore Torquato, Roberto Car, Pablo G Debenedetti
Manifestations of metastable criticality in the long-range structure of model water glasses. Nature communications 12 (1) (2021)
Pablo M Piaggi, Athanassios Z Panagiotopoulos, Pablo G Debenedetti, Roberto Car
Phase Equilibrium of Water with Hexagonal and Cubic Ice Using the SCAN Functional. Journal of chemical theory and computation 17 (5) (2021)
Daniel J Kozuch, Frank H Stillinger, Pablo G Debenedetti
Effects of Trehalose on Lipid Membranes under Rapid Cooling using All-Atom and Coarse-Grained Molecular Simulations. The journal of physical chemistry. B 125 (20) (2021)
Gül H Zerze, Frank H Stillinger, Pablo G Debenedetti
Thermodynamics of DNA Hybridization from Atomistic Simulations. The journal of physical chemistry. B 125 (3) (2021)
Thomas E Gartner Iii, Linfeng Zhang, Pablo M Piaggi, Roberto Car, Athanassios Z Panagiotopoulos, Pablo G Debenedetti
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 117 (42) (2020)
Gül H Zerze, Frank H Stillinger, Pablo G Debenedetti
The Handedness of DNA Assembly around Carbon Nanotubes Is Determined by the Chirality of DNA. The journal of physical chemistry. B 124 (26) (2020)
Pablo G Debenedetti, Francesco Sciortino, Gül H Zerze
Second critical point in two realistic models of water. Science (New York, N.Y.) 369 (6501) (2020)
Daniel J Kozuch, Frank H Stillinger, Pablo G Debenedetti
Genetic Algorithm Approach for the Optimization of Protein Antifreeze Activity Using Molecular Simulations. Journal of chemical theory and computation 16 (12) (2020)
Chester E Markwalter, Betul Uralcan, István Pelczer, Shlomo Zarzhitsky, Michael H Hecht, Robert K Prud'homme, Pablo G Debenedetti
Stability of Protein Structure during Nanocarrier Encapsulation: Insights on Solvent Effects from Simulations and Spectroscopic Analysis. ACS nano (2020)
Daniel J Kozuch, Kurt D Ristroph, Robert K Prud'homme, Pablo G Debenedetti
Insights into Hydrophobic Ion Pairing from Molecular Simulation and Experiment. ACS nano 14 (5) (2020)
Jeremy C Palmer, Amir Haji-Akbari, Rakesh S Singh, Fausto Martelli, Roberto Car, Athanassios Z Panagiotopoulos, Pablo G Debenedetti
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 (13) (2019)
Betul Uralcan, Pablo G Debenedetti
Computational Investigation of the Effect of Pressure on Protein Stability. The journal of physical chemistry letters 10 (8) (2019)
Betul Uralcan, Folarin Latinwo, Pablo G Debenedetti, Mikhail A Anisimov
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 (6) (2019)
Hao Jiang, Pablo G Debenedetti, Athanassios Z Panagiotopoulos
Nucleation in aqueous NaCl solutions shifts from 1-step to 2-step mechanism on crossing the spinodal. The Journal of chemical physics 150 (12) (2019)
Daniel J Kozuch, Frank H Stillinger, Pablo G Debenedetti
Low temperature protein refolding suggested by molecular simulation. The Journal of chemical physics 151 (18) (2019)
Y Elia Altabet, Andreia L Fenley, Frank H Stillinger, Pablo G Debenedetti
Cavitation transition in the energy landscape: Distinct tensile yielding behavior in strongly and weakly attractive systems. The Journal of chemical physics 148 (11) (2018)
Hao Jiang, Pablo G Debenedetti, Athanassios Z Panagiotopoulos
Communication: Nucleation rates of supersaturated aqueous NaCl using a polarizable force field. The Journal of chemical physics 149 (14) (2018)
Amir Haji-Akbari, Pablo G Debenedetti
Perspective: Surface freezing in water: A nexus of experiments and simulations. The Journal of chemical physics 147 (6) (2018)
Betul Uralcan, Sang Beom Kim, Chester E Markwalter, Robert K Prud'homme, Pablo G Debenedetti
A Computational Study of the Ionic Liquid-Induced Destabilization of the Miniprotein Trp-Cage. The journal of physical chemistry. B 122 (21) (2018)
Hao Jiang, Amir Haji-Akbari, Pablo G Debenedetti, Athanassios Z Panagiotopoulos
Forward flux sampling calculation of homogeneous nucleation rates from aqueous NaCl solutions. The Journal of chemical physics 148 (4) (2018)
Jeremy C Palmer, Peter H Poole, Francesco Sciortino, Pablo G Debenedetti
Advances in Computational Studies of the Liquid-Liquid Transition in Water and Water-Like Models. Chemical reviews 118 (18) (2018)
Gül H Zerze, Mohammad Navaid Khan, Frank H Stillinger, Pablo G Debenedetti
Computational Investigation of the Effect of Backbone Chiral Inversions on Polypeptide Structure. The journal of physical chemistry. B 122 (24) (2018)
Y Elia Altabet, Frank H Stillinger, Pablo G Debenedetti
A cavitation transition in the energy landscape of simple cohesive liquids and glasses. The Journal of chemical physics 145 (21) (2018)
Claudio A Cerdeiriña, Pablo G Debenedetti
Water's Thermal Pressure Drives the Temperature Dependence of Hydrophobic Hydration. The journal of physical chemistry. B 122 (13) (2018)
Y Elia Altabet, Pablo G Debenedetti
Communication: Relationship between local structure and the stability of water in hydrophobic confinement. The Journal of chemical physics 147 (24) (2018)
Sang Beom Kim, Rakesh S Singh, Prem K C Paul, Pablo G Debenedetti
Effects of disulfide bridges and backbone connectivity on water sorption by protein matrices. Scientific reports 7 (1) (2017)
Y Elia Altabet, Rakesh S Singh, Frank H Stillinger, Pablo G Debenedetti
Thermodynamic Anomalies in Stretched Water. Langmuir : the ACS journal of surfaces and colloids 33 (42) (2017)
John W Biddle, Rakesh S Singh, Evan M Sparano, Francesco Ricci, Miguel A González, Chantal Valeriani, Jose Luis F Abascal, Pablo G Debenedetti, Mikhail A Anisimov, Frédéric Caupin
Two-structure thermodynamics for the TIP4P/2005 model of water covering supercooled and deeply stretched regions. The Journal of chemical physics 146 (3) (2017)
Sang Beom Kim, Evan M Sparano, Rakesh S Singh, Pablo G Debenedetti
Microscopic Origin of Hysteresis in Water Sorption on Protein Matrices. The journal of physical chemistry letters 8 (6) (2017)