Phys Chem Chem Phys
July 2024
Many physical and chemical processes in a condensed phase environment exhibit non-Markovian quantum dynamics. As such simulations are challenging on classical computers, we developed a variational quantum algorithm that is capable of simulating non-Markovian dynamics on noisy intermediate-scale quantum (NISQ) devices. We used a quantum system linearly coupled to its harmonic bath as the model Hamiltonian.
View Article and Find Full Text PDFThe theory of open quantum systems has many applications ranging from simulating quantum dynamics in condensed phases to better understanding quantum-enabled technologies. At the center of theoretical chemistry are the developments of methodologies and computational tools for simulating charge and excitation energy transfer in solutions, biomolecules, and molecular aggregates. As a variety of these processes display non-Markovian behavior, classical computer simulation can be challenging due to exponential scaling with existing methods.
View Article and Find Full Text PDFAerosp Med Hum Perform
February 2024
Aircraft are manufactured according to design parameters that must account for the size and physical characteristics of the pilot. While cockpit dimensions, seats, restraints, and related components do not change substantially over the airframe lifecycle, it is conceivable that the occupant may, even if initially well-suited. This investigation focused on longitudinal body mass index (BMI) changes within a cohort of British Army Air Corps pilots.
View Article and Find Full Text PDFThe dynamics of the excitation energy transfer (EET) in photosynthetic complexes is an interesting question both from the perspective of fundamental understanding and the research in artificial photosynthesis. Over the past decade, very accurate spectral densities have been developed to capture spatial inhomogeneities in the Fenna-Matthews-Olson (FMO) complex. However, challenges persist in numerically simulating these systems, both in terms of parameterizing them and following their dynamics over long periods of time because of long non-Markovian memories.
View Article and Find Full Text PDFJ Chem Theory Comput
August 2023
Understanding the pathways taken by a quantum particle during a transport process is an enormous challenge. There are broadly two different aspects of the problem that affect the route taken. First is obviously the couplings between the various sites, which translates into the intrinsic "strength" of a state-to-state channel.
View Article and Find Full Text PDF