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physics.optics2024
Uncovering low-frequency vibrations in surface-enhanced Raman of organic molecules
Alexandra Boehmke, Roberto A Boto, Eoin Elliot +7
Accessing the terahertz (THz) spectral domain through surface-enhanced Raman spectroscopy (SERS) is challenging and opens up the study of low-frequency molecular and electronic exc…
physics.bio-ph2024
Kinetics-Optimized Enhanced Sampling Using Mean First Passage Times
Tiejun Wei, Balint Dudas, Edina Rosta
Molecular dynamics simulations have become essential in many areas of atomistic modelling from drug discovery to materials science. They provide critical atomic-level insights into…