20 citations · 59 across the 7 of their papers we have counts for
7 papers
Trotter simulation of vibrational Hamiltonians on a quantum computer
Shreyas Malpathak, Sangeeth Das Kallullathil, Ignacio Loaiza +3
Simulating vibrational dynamics is essential for understanding molecular structure, unlocking useful applications such as vibrational spectroscopy for high-fidelity chemical detect…
Simulating Vibrational Dynamics on Bosonic Quantum Devices
Shreyas Malpathak, Sangeeth Das Kallullathil, Artur F. Izmaylov
Bosonic quantum devices, which utilize harmonic oscillator modes to encode information, are emerging as a promising alternative to conventional qubit-based quantum devices, especia…
Semiclassical Dynamics in Wigner Phase Space II : nonadiabatic Hybrid Wigner Dynamics
Shreyas Malpathak, Nandini Ananth
We present an approximate semiclassical (SC) framework for mixed quantized dynamics in Wigner phase space in a two-part series. In the first article, we introduced the Adiabatic Hy…
Semiclassical Dynamics in Wigner Phase Space I : Adiabatic Hybrid Wigner Dynamics
Shreyas Malpathak, Nandini Ananth
The Wigner phase space formulation of quantum mechanics is a complete framework for quantum dynamic calculations that elegantly highlights connections with classical dynamics. In t…
A Linearized Semiclassical dynamics study of the multi-quantum vibrational relaxation of NO scattering from a Au(111) Surface
Shreyas Malpathak, Nandini Ananth
The vibrational relaxation of NO molecules scattering from an Au(111) surface has served as the focus of efforts to understand nonadiabatic energy transfer at metal-molecule interf…
Non-Linear Correlation Functions and Zero-Point Energy Flow in Mixed Quantum-Classical Semiclassical Dynamics
Shreyas Malpathak, Nandini Ananth
Mixed Quantum Classical (MQC)-IVR is a recently introduced semiclassical framework that allows for selective quantization of the modes of a complex system. In the quantum limit, MQ…
A Semiclassical Framework for Mixed Quantum Classical Dynamics
Shreyas Malpathak, Matthew S. Church, Nandini Ananth
Semiclassical approximations for quantum dynamic simulations in complex chemical systems range from rigorously accurate methods that are computationally expensive to methods that e…