1 citations · 2 across the 2 of their papers we have counts for
5 papers
Fault-tolerant quantum simulation of the Pauli-Breit Hamiltonian for ab initio hybrid quantum-classical molecular design with applications to photodynamic therapy
Emil Zak
Relativistic spin effects drive subtle molecular phenomena ranging from intersystem crossing in photodynamic therapy to spin-mediated catalysis and high-resolution spectroscopy. Th…
Simulating high-accuracy nuclear motion Hamiltonians using discrete variable representation and Walsh-Hadamard QROM on fault-tolerant quantum computers
Michał Szczepanik, Ákos Nagy, Emil Żak
We present a quantum algorithm for simulating rovibrational Hamiltonians on fault-tolerant quantum computers. The method integrates exact curvilinear kinetic energy operators and g…
Controlling rovibrational state populations of polar molecules in inhomogeneous electric fields of the Stark deceleration: molecular dynamics and quantum chemistry simulations
Emil Zak, Jochen Küpper, Andrey Yachmenev
We propose a modified Stark-chirped rapid adiabatic passage technique for a robust rovibrational population transfer in the gas phase molecules in the presence of certain inhomogen…
Quantum algorithm for solving generalized eigenvalue problems with application to the Schrödinger equation
Grzegorz Rajchel-Mieldzioć, Szymon Pliś, Emil Zak
Accurate computation of multiple eigenvalues of quantum Hamiltonians is essential in quantum chemistry, materials science, and molecular spectroscopy. Estimating excited-state ener…
Quantum Discrete Variable Representations
Szymon Pliś, Emil Zak
We present a fault-tolerant quantum algorithm for implementing the Discrete Variable Representation (DVR) transformation, a technique widely used in simulations of quantum-mechanic…