Concepedia

Phonon interference in single-molecule junctions

Sai C. Yelishala, Yunxuan Zhu, P. M. Martinez, Hongxuan Chen, Mohammad Habibi, Giacomo Prampolini, Juan Carlos Cuevas, Wei Zhang, J. G. Vilhena, Longji Cui

Nature Materials · 2025 · 13 citations · 57 references

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57

Molecular dynamics with coupling to an external bath

Herman J. C. Berendsen, Johan P. M. Postma, Wilfred F. van Gunsteren et al. · The Journal of Chemical Physics · 1984 · 31K citations · Full text

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LAMMPS - a flexible simulation tool for particle-based materials modeling at the atomic, meso, and continuum scales

Aidan P. Thompson, Hasan Metin Aktulga, Richard Berger et al. · Computer Physics Communications · 2021 · 11.5K citations · Full text

, , +16

In situ click chemistry generation of cyclooxygenase-2 inhibitors

Atul Bhardwaj, Jatinder Kaur, Melinda Wuest et al. · Nature Communications · 2017 · 7.6K citations · Full text

, , +14

Reversible multiple time scale molecular dynamics

Mark E. Tuckerman, B. J. Berne, Glenn Martyna · The Journal of Chemical Physics · 1992 · 3.6K citations

, , +14

The chips are down for Moore’s law

M. Mitchell Waldrop · Nature · 2016 · 2.3K citations · Full text

, , +10