Mark E Tuckerman
New York University
H-index: 82
North America-United States
Top articles of Mark E Tuckerman
Machine learning classification of local environments in molecular crystals
arXiv preprint arXiv:2404.00155
2024/3/29
Machine learning the Hohenberg-Kohn map to electronic excited states
Bulletin of the American Physical Society
2024/3/6
Machine learning the electronic structure of molecules via the one-body reduced density matrix
Bulletin of the American Physical Society
2024/3/6
Elaboration of a neural-network interatomic potential for silica glass and melt
Computational Materials Science
2024/3/1
Akshay Krishna Ammothum Kandy
H-Index: 1
Mark E Tuckerman
H-Index: 44
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
2024/1/5
Mark E Tuckerman
H-Index: 44
Titelbild: Tailoring Electrochemical CO2 Reduction on Copper by Reactive Ionic Liquid and Native Hydrogen Bond Donors (Angew. Chem. 1/2024)
Angewandte Chemie
2024/1/2
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
2024/1/2
Tailoring Electrochemical CO2 Reduction on Copper by Reactive Ionic Liquid and Native Hydrogen Bond Donors
Angewandte Chemie
2024/1/2
An interoperable implementation of collective‐variable based enhanced sampling methods in extended phase space within the OpenMM package
Journal of Computational Chemistry
2023/10/30
Mark E Tuckerman
H-Index: 44
Machine learning electronic structure methods based on the one-electron reduced density matrix
Nature Communications
2023/10/7
Topological Crystal Structure Prediction
2023/9/25
(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
2023/8/28
Mark E Tuckerman
H-Index: 44
Statistical mechanics: theory and molecular simulation
2023/8/2
Mark E Tuckerman
H-Index: 44
An exploration of machine learning models for the determination of reaction coordinates associated with conformational transitions
The Journal of Chemical Physics
2023/7/21
Mark E Tuckerman
H-Index: 44
Functional groups in anion exchange membranes: Insights from Ab initio molecular dynamics
Journal of Membrane Science
2023/7/15
Mark E Tuckerman
H-Index: 44
Geometric deep learning for molecular crystal structure prediction
Journal of chemical theory and computation
2023/4/13
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
2023/2/2
Zhuoran Long
H-Index: 4
Mark E Tuckerman
H-Index: 44
Microswimmers under the spotlight: interplay between agents with different levels of activity
Soft Matter
2023
Evolution of microscopic heterogeneity and dynamics in choline chloride-based deep eutectic solvents
Nature communications
2022/1/11
The impact of carbonation on hydroxide diffusion in nano-confined anion exchange membranes
Journal of Materials Chemistry A
2022
Mark E Tuckerman
H-Index: 44
