Mark E Tuckerman
New York University
H-index: 82
North America-United States
Top articles of Mark E Tuckerman
Title | Journal | Author(s) | Publication Date |
|---|---|---|---|
Electrostatic Potential of Functional Cations as a Predictor of Hydroxide Diffusion Pathways in Nanoconfined Environments of Anion Exchange Membranes | The Journal of Physical Chemistry Letters | Tamar Zelovich Dario R Dekel Mark E Tuckerman | 2024/1/5 |
Titelbild: Tailoring Electrochemical CO2 Reduction on Copper by Reactive Ionic Liquid and Native Hydrogen Bond Donors (Angew. Chem. 1/2024) | Angewandte Chemie | Oguz Kagan Coskun Saudagar Dongare Brian Doherty Aidan Klemm Mark Tuckerman | 2024/1/2 |
Machine learning classification of local environments in molecular crystals | arXiv preprint arXiv:2404.00155 | Daisuke Kuroshima Michael Kilgour Mark E Tuckerman Jutta Rogal | 2024/3/29 |
Machine learning the Hohenberg-Kohn map to electronic excited states | Bulletin of the American Physical Society | Yuanming Bai Leslie Vogt-Maranto Mark Tuckerman William Glover | 2024/3/6 |
Cover Picture: Tailoring Electrochemical CO2 Reduction on Copper by Reactive Ionic Liquid and Native Hydrogen Bond Donors (Angew. Chem. Int. Ed. 1/2024) | Angewandte Chemie International Edition | Oguz Kagan Coskun Saudagar Dongare Brian Doherty Aidan Klemm Mark Tuckerman | 2024/1/2 |
Tailoring Electrochemical CO2 Reduction on Copper by Reactive Ionic Liquid and Native Hydrogen Bond Donors | Angewandte Chemie | Oguz Kagan Coskun Saudagar Dongare Brian Doherty Aidan Klemm Mark Tuckerman | 2024/1/2 |
Machine learning the electronic structure of molecules via the one-body reduced density matrix | Bulletin of the American Physical Society | Xuecheng Shao Mark Tuckerman Michele Pavanello | 2024/3/6 |
Elaboration of a neural-network interatomic potential for silica glass and melt | Computational Materials Science | Salomé Trillot Julien Lam Simona Ispas Akshay Krishna Ammothum Kandy Mark E Tuckerman | 2024/3/1 |
Functional groups in anion exchange membranes: Insights from Ab initio molecular dynamics | Journal of Membrane Science | Tamar Zelovich Dario R Dekel Mark E Tuckerman | 2023/7/15 |
Machine learning electronic structure methods based on the one-electron reduced density matrix | Nature Communications | Xuecheng Shao Lukas Paetow Mark E Tuckerman Michele Pavanello | 2023/10/7 |
Geometric deep learning for molecular crystal structure prediction | Journal of chemical theory and computation | Michael Kilgour Jutta Rogal Mark Tuckerman | 2023/4/13 |
Topological Crystal Structure Prediction | Mark Tuckerman Nikolaos Galanakis | 2023/9/25 | |
Hydroxide Diffusion in Functionalized Cylindrical Nanopores as Idealized Models of Anion Exchange Membrane Environments: An Ab Initio Molecular Dynamics Study | The Journal of Physical Chemistry C | Zhuoran Long Mark E Tuckerman | 2023/2/2 |
(Invited) First-Principles Molecular Dynamics Investigations of Proton and Hydroxide Transport in Model Anion-Exchange- and Proton-Exchange Membranes in … | Electrochemical Society Meeting Abstracts 243 | Tamar Zelovich Mark E Tuckerman | 2023/8/28 |
Microswimmers under the spotlight: interplay between agents with different levels of activity | Soft Matter | Caroline Desgranges Melissa Ferrari Paul M Chaikin Stefano Sacanna Mark E Tuckerman | 2023 |
Statistical mechanics: theory and molecular simulation | Mark E Tuckerman | 2023/8/2 | |
An exploration of machine learning models for the determination of reaction coordinates associated with conformational transitions | The Journal of Chemical Physics | Nawavi Naleem Charlles RA Abreu Krzysztof Warmuz Muchen Tong Serdal Kirmizialtin | 2023/7/21 |
An interoperable implementation of collective‐variable based enhanced sampling methods in extended phase space within the OpenMM package | Journal of Computational Chemistry | Shitanshu Bajpai Brian K Petkov Muchen Tong Charlles RA Abreu Nisanth N Nair | 2023/10/30 |
Crystal structure predictions for 4-amino-2, 3, 6-trinitrophenol using a tailor-made first-principles-based force field | Crystal Growth & Design | Michael P Metz Muhammad Shahbaz Hongxing Song Leslie Vogt-Maranto Mark E Tuckerman | 2022/1/24 |
Machine learning the Hohenberg-Kohn map for molecular excited states | Nature communications | Yuanming Bai Leslie Vogt-Maranto Mark E Tuckerman William J Glover | 2022/11/17 |
