Valeria Molinero

Publication Activity (10 Years)

Years Active: 2016-2024
Publications (10 Years): 42

Top Topics

Low Density Lipoprotein

Binding Protein

Molecular Dynamics

Top Venues

Journal of the American Chemical Society

The journal of physical chemistry letters

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

The journal of physical chemistry. B

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

Publications

Debdas Dhabal, Rajat Kumar, Valeria Molinero
Liquid-liquid transition and ice crystallization in a machine-learned coarse-grained water model. Proceedings of the National Academy of Sciences of the United States of America 121 (20) (2024)
Debdas Dhabal, Rajat Kumar, Valeria Molinero
Liquid-liquid transition and ice crystallization in a machine-learned coarse-grained water model. Proceedings of the National Academy of Sciences of the United States of America 121 (20) (2024)
Aditya Koneru, Henry Chan, Sukriti Manna, Suvo Banik, Valeria Molinero, Subramanian K R S Sankaranarayanan
Machine Learning a Simple Interpretable Short-Range Potential for Silica. Journal of chemical theory and computation (2024)
Debdas Dhabal, Rajat Kumar, Valeria Molinero
Liquid-liquid transition and ice crystallization in a machine-learned coarse-grained water model. Proceedings of the National Academy of Sciences of the United States of America 121 (20) (2024)
Esteban D Gadea, Valeria Molinero, Damian A Scherlis
Nanobubble Stability and Formation on Solid-Liquid Interfaces in Open Environments. Nano letters (2023)
Debdas Dhabal, Valeria Molinero
Kinetics and Mechanisms of Pressure-Induced Ice Amorphization and Polyamorphic Transitions in a Machine-Learned Coarse-Grained Water Model. The journal of physical chemistry. B (2023)
Ralph Schwidetzky, Ingrid de Almeida Ribeiro, Nadine Bothen, Anna T Kunert, Arthur L DeVries, Mischa Bonn, Janine Fröhlich-Nowoisky, Valeria Molinero, Konrad Meister
Functional aggregation of cell-free proteins enables fungal ice nucleation. Proceedings of the National Academy of Sciences of the United States of America 120 (46) (2023)
Kartik Kamat, Pavithra M Naullage, Valeria Molinero, Baron Peters
Oriented attachment kinetics for rod-like particles at a flat surface: Buffon's needle at the nanoscale. The Journal of chemical physics 157 (21) (2022)
Ingrid de Almeida Ribeiro, Maurice de Koning, Valeria Molinero
Is It Possible to Follow the Structural Evolution of Water in "No-Man's Land" Using a Pulsed-Heating Procedure? The journal of physical chemistry letters 13 (4) (2022)
Andressa A Bertolazzo, Debdas Dhabal, Valeria Molinero
Polymorph Selection in Zeolite Synthesis Occurs after Nucleation. The journal of physical chemistry letters 13 (4) (2022)
Debdas Dhabal, Andressa A Bertolazzo, Valeria Molinero
What Is the Smallest Zeolite That Could Be Synthesized? Angewandte Chemie (International ed. in English) 61 (29) (2022)
Debdas Dhabal, Subramanian K R S Sankaranarayanan, Valeria Molinero
Stability and Metastability of Liquid Water in a Machine-Learned Coarse-Grained Model with Short-Range Interactions. The journal of physical chemistry. B 126 (47) (2022)
Atanu K Metya, Valeria Molinero
Is Ice Nucleation by Organic Crystals Nonclassical? An Assessment of the Monolayer Hypothesis of Ice Nucleation. Journal of the American Chemical Society 143 (12) (2021)
Pavithra M Naullage, Atanu K Metya, Valeria Molinero
Computationally efficient approach for the identification of ice-binding surfaces and how they bind ice. The Journal of chemical physics 153 (17) (2021)
Kartik Kamat, Pavithra M Naullage, Valeria Molinero, Baron Peters
Diffusion Attachment Model for Long Helical Antifreeze Proteins to Ice. Biomacromolecules 23 (2) (2021)
Pavithra M Naullage, Valeria Molinero
Slow Propagation of Ice Binding Limits the Ice-Recrystallization Inhibition Efficiency of PVA and Other Flexible Polymers. Journal of the American Chemical Society 142 (9) (2020)
Esteban D Gadea, Yamila A Perez Sirkin, Valeria Molinero, Damian A Scherlis
Electrochemically Generated Nanobubbles: Invariance of the Current with Respect to Electrode Size and Potential. The journal of physical chemistry letters 11 (16) (2020)
Yamila A Perez Sirkin, Esteban D Gadea, Damian A Scherlis, Valeria Molinero
Mechanisms of Nucleation and Stationary States of Electrochemically Generated Nanobubbles. Journal of the American Chemical Society 141 (27) (2019)
Yuqing Qiu, Arpa Hudait, Valeria Molinero
How Size and Aggregation of Ice-Binding Proteins Control Their Ice Nucleation Efficiency. Journal of the American Chemical Society 141 (18) (2019)
Matías H Factorovich, Pavithra M Naullage, Valeria Molinero
Can clathrates heterogeneously nucleate ice? The Journal of chemical physics 151 (11) (2019)
Arpa Hudait, Yuqing Qiu, Nathan Odendahl, Valeria Molinero
Hydrogen-Bonding and Hydrophobic Groups Contribute Equally to the Binding of Hyperactive Antifreeze and Ice-Nucleating Proteins to Ice. Journal of the American Chemical Society 141 (19) (2019)
Andressa A Bertolazzo, Pavithra M Naullage, Baron Peters, Valeria Molinero
The Clathrate-Water Interface Is Oleophilic. The journal of physical chemistry letters 9 (12) (2018)
Noah Kastelowitz, Valeria Molinero
Ice-Liquid Oscillations in Nanoconfined Water. ACS nano 12 (8) (2018)
Yuqing Qiu, Laura Lupi, Valeria Molinero
Is Water at the Graphite Interface Vapor-like or Ice-like? The journal of physical chemistry. B 122 (13) (2018)
Kenji Mochizuki, Valeria Molinero
Antifreeze Glycoproteins Bind Reversibly to Ice via Hydrophobic Groups. Journal of the American Chemical Society 140 (14) (2018)
Pavithra M Naullage, Yuqing Qiu, Valeria Molinero
What Controls the Limit of Supercooling and Superheating of Pinned Ice Surfaces? The journal of physical chemistry letters 9 (7) (2018)
Abhinaw Kumar, Valeria Molinero
Why Is Gyroid More Difficult to Nucleate from Disordered Liquids than Lamellar and Hexagonal Mesophases? The journal of physical chemistry. B 122 (17) (2018)
Abhinaw Kumar, Andrew H Nguyen, Rita Okumu, Tricia D Shepherd, Valeria Molinero
Could Mesophases Play a Role in the Nucleation and Polymorph Selection of Zeolites? Journal of the American Chemical Society 140 (47) (2018)
Arpa Hudait, Nathan Odendahl, Yuqing Qiu, Francesco Paesani, Valeria Molinero
Ice-Nucleating and Antifreeze Proteins Recognize Ice through a Diversity of Anchored Clathrate and Ice-like Motifs. Journal of the American Chemical Society 140 (14) (2018)
Yuqing Qiu, Valeria Molinero
Why Is It So Difficult to Identify the Onset of Ice Premelting? The journal of physical chemistry letters 9 (17) (2018)
Abhinaw Kumar, Valeria Molinero
Two-Step to One-Step Nucleation of a Zeolite through a Metastable Gyroid Mesophase. The journal of physical chemistry letters 9 (19) (2018)
Dengpan Dong, Weiwei Zhang, Adam Barnett, Jibao Lu, Adri C T Van Duin, Valeria Molinero, Dmitry Bedrov
Multiscale Modeling of Structure, Transport and Reactivity in Alkaline Fuel Cell Membranes: Combined Coarse-Grained, Atomistic and Reactive Molecular Dynamics Simulations. Polymers 10 (11) (2018)
Yamila A Perez Sirkin, Matías H Factorovich, Valeria Molinero, Damian A Scherlis
Stability and Vapor Pressure of Aqueous Aggregates and Aerosols Containing a Monovalent Ion. The journal of physical chemistry. A 121 (13) (2017)
Kenji Mochizuki, Yuqing Qiu, Valeria Molinero
Promotion of Homogeneous Ice Nucleation by Soluble Molecules. Journal of the American Chemical Society 139 (47) (2017)
Abhinaw Kumar, Valeria Molinero
Self-Assembly of Mesophases from Nanoparticles. The journal of physical chemistry letters 8 (20) (2017)
Yuqing Qiu, Nathan Odendahl, Arpa Hudait, Ryan Mason, Allan K Bertram, Francesco Paesani, Paul J DeMott, Valeria Molinero
Ice Nucleation Efficiency of Hydroxylated Organic Surfaces Is Controlled by Their Structural Fluctuations and Mismatch to Ice. Journal of the American Chemical Society 139 (8) (2017)
Geoffrey G Poon, Tobias Lemke, Christine Peter, Valeria Molinero, Baron Peters
Soluble Oligomeric Nucleants: Simulations of Chain Length, Binding Strength, and Volume Fraction Effects. The journal of physical chemistry letters 8 (23) (2017)
Bin Song, Nathaniel Charest, Herbert Alexander Morriss-Andrews, Valeria Molinero, Joan-Emma Shea
Systematic derivation of implicit solvent models for the study of polymer collapse. Journal of computational chemistry 38 (16) (2017)
Jibao Lu, Chance Miller, Valeria Molinero
Parameterization of a coarse-grained model with short-ranged interactions for modeling fuel cell membranes with controlled water uptake. Physical chemistry chemical physics : PCCP 19 (27) (2017)
Arpa Hudait, Michael T Allen, Valeria Molinero
Sink or Swim: Ions and Organics at the Ice-Air Interface. Journal of the American Chemical Society 139 (29) (2017)
Laura Lupi, Rebecca Hanscam, Yuqing Qiu, Valeria Molinero
Reaction Coordinate for Ice Crystallization on a Soft Surface. The journal of physical chemistry letters 8 (17) (2017)
Jibao Lu, Liam C Jacobson, Yamila A Perez Sirkin, Valeria Molinero
High-Resolution Coarse-Grained Model of Hydrated Anion-Exchange Membranes that Accounts for Hydrophobic and Ionic Interactions through Short-Ranged Potentials. Journal of chemical theory and computation 13 (1) (2016)