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Journal of Chemical Theory and Computation|February 2, 2023
Data-Efficient Machine Learning Potentials from Transfer Learning of Periodic Correlated Electronic Structure Methods: Liquid Water at AFQMC, CCSD, and CCSD(T) AccuracyMichael S Chen, Joonho Lee, Hong-Zhou Ye, et al.
The Journal of Chemical Physics|May 22, 2024
High accuracy exponential decomposition of bath correlation functions for arbitrary and structured spectral densities: Emerging methodologies and new approachesHideaki Takahashi, Samuel Rudge, Christoph Kaspar, et al.
The Journal of Chemical Physics|December 10, 2008
Effects of intense femtosecond pumping on ultrafast electronic-vibrational dynamics in molecular systems with relaxationDassia Egorova, Maxim F Gelin, Michael Thoss, et al.
Chemical Science|January 26, 2024
Ligand field design enables quantum manipulation of spins in Ni<sup>2+</sup> complexesMichael K Wojnar, Krishnendu Kundu, Arailym Kairalapova, et al.
The Journal of Physical Chemistry. A|October 25, 2023
Accurate Quantum Chemical Reaction Energies for Lithium-Mediated Electrolyte Decomposition and Evaluation of Density Functional ApproximationsSibali Debnath, Verena A Neufeld, Leif D Jacobson, et al.
ACS Nano|January 30, 2025
Role of Superlattice Phonons in Charge Localization Across Quantum Dot ArraysBokang Hou, Matthew J Coley-O'Rourke, Uri Banin, et al.
Nanoscale|May 18, 2017
Charge transport in C<sub>60</sub>-based single-molecule junctions with graphene electrodesSusanne Leitherer, Pedro B Coto, Konrad Ullmann, et al.
The Journal of Chemical Physics|March 18, 2014
A quasi-classical mapping approach to vibrationally coupled electron transport in molecular junctionsBin Li, Eli Y Wilner, Michael Thoss, et al.
Advanced Materials (Deerfield Beach, Fla.)|February 22, 2023
Mobile Trions in Electrically Tunable 2D Hybrid PerovskitesJonas D Ziegler, Yeongsu Cho, Sophia Terres, et al.
Journal of the American Chemical Society|December 28, 2020
Polytypism, Anisotropic Transport, and Weyl Nodes in the van der Waals Metal TaFeTe<sub>4</sub>Ren A Wiscons, Yeongsu Cho, Sae Young Han, et al.
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