542 citations · 3.8k across the 84 of their papers we have counts for
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The Driven Liouville von Neumann Equation in Lindblad Form
Oded Hod, César A. Rodríguez-Rosario, Tamar Zelovich +1
The Driven Liouville von Neumann approach [J. Chem. Theory Comput. 10, 2927-2941 (2014)] is a computationally efficient simulation method for modeling electron dynamics in molecula…
Phosphorene and Doped Monolayers Interfaced TiO with Type-II Band Alignments: Novel Excitonic Solar Cells
Liujiang Zhou, Jin Zhang, Zhiwen Zhuo +6
Phosphorene, a new elemental two dimensional (2D) material recently isolated by mechanical exfoliation, holds the feature of a direct band gap of around 2.0 eV, overcoming graphene…
New Quantum Spin Hall Insulator in Two-dimensional MoS with Periodically Distributed Pores
Peng-Fei Liu, Liujiang Zhou, Thomas Frauenheim +1
MoS, one of transition metal dichalcogenides (TMDs), has caused a lot of attentions for its excellent semiconductor characteristics and potential applications. Here, based on t…
Non-Markovian quantum processes: complete framework and efficient characterisation
Felix A. Pollock, César Rodríguez-Rosario, Thomas Frauenheim +2
Currently, there is no systematic way to describe a quantum process with memory solely in terms of experimentally accessible quantities. However, recent technological advances mean…
New Family of Quantum Spin Hall Insulators in Two-dimensional Transition-Metal Halide with Large Nontrivial Band Gaps
Liujiang Zhou, Liangzhi Kou, Yan Sun +6
Topological insulators (TIs) are promising for achieving dissipationless transport devices due to the robust gapless states inside the insulating bulk gap. However, currently reali…
Towards rational design of catalysts supported on a topological insulator substrate
Jianping Xiao, Liangzhi Kou, Chi-Yung Yam +2
Exotic and robust metallic surface states of topological insulators (TIs) have been expected to provide a promising platform for novel surface chemistry and catalysis. However, it…