3 citations · 3 across the 4 of their papers we have counts for
5 papers
High-Harmonic Generation Probes Quantum Nuclear Fluctuations in Liquid Water
George Trenins, Nicolas Tancogne-Dejean, Angana Mondal +5
Nuclear quantum effects are essential for an accurate description of the hydrogen-bonded structure of liquid water, yet their spectroscopic signatures can be subtle and difficult t…
Attosecond-resolved probing of recolliding electron wave packets in liquids and aqueous solutions
Angana Mondal, Nicolas Tancogne-Dejean, George Trenins +8
High-harmonic spectroscopy (HHS) in liquids promises real-time access to ultrafast electronic dynamics in the native environment of chemical and biological processes. While electro…
Vibrational Spectra of Materials and Molecules from Partially-Adiabatic Elevated-Temperature Centroid Molecular Dynamics
Jorge Castro, George Trenins, Venkat Kapil +1
Centroid molecular dynamics (CMD) incorporates nuclear quantum statistics into the calculation of vibrational spectra. However, when performed in Cartesian coordinates, CMD shows u…
Multi-plateau high-harmonic generation in liquids driven by off-site recombination
Angana Mondal, Ofer Neufeld, Tadas Balciunas +7
Non-perturbative high-harmonic generation (HHG) has recently been observed in the liquid phase, where it was demonstrated to have a different physical mechanism compared to gas and…
Accurate Machine Learning Interatomic Potentials for Polyacene Molecular Crystals: Application to Single Molecule Host-Guest Systems
Burak Gurlek, Shubham Sharma, Paolo Lazzaroni +2
Emerging machine learning interatomic potentials (MLIPs) offer a promising solution for large-scale accurate material simulations, but stringent tests related to the description of…