134 citations · 2.5k across the 122 of their papers we have counts for
28 papers · 1 filter
Frequency-Dependent Vibronic Effects in Steady State Energy Transport
Leonardo F. Calderón, Paul Brumer
The interplay between electronic and intramolecular high-frequency vibrational degrees of freedom is ubiquitous in natural light-harvesting systems. Recent studies have indicated t…
Multichannel quantum defect theory with a frame transformation for ultracold atom-molecule collisions in magnetic fields
Masato Morita, Paul Brumer, Timur V. Tscherbul
We extend the powerful formalism of multichannel quantum defect theory combined with a frame transformation to ultracold atom-molecule collisions in magnetic fields. By solving the…
Steady State Photoisomerization Quantum Yield of Model Rhodopsin: Insights from Wavepacket Dynamics?
Chern Chuang, Paul Brumer
We simulate the nonequilibrium steady state \textit{cis-trans} photoisomerization of retinal chromophore in rhodopsin based on a two-state-two-mode model coupled to a thermal envir…
Multi-objective optimization for retinal photoisomerization models with respect to experimental observables
Rodrigo A. Vargas-Hernández, Chern Chuang, Paul Brumer
The fitting of physical models is often done only using a single target observable. However, when multiple targets are considered, the fitting procedure becomes cumbersome, there b…
Computational approaches to efficient generation of the stationary state for incoherent light excitation
Ignacio Loaiza, Artur F. Izmaylov, Paul Brumer
Light harvesting processes are often computationally studied from a time-dependent viewpoint, in line with ultrafast coherent spectroscopy experiments. Yet, natural processes take…
Coherent control of reactive scattering at low temperatures: Signatures of quantum interference in the differential cross sections for F + H2 and F + HD
Adrien Devolder, Timur Tscherbul, Paul Brumer
Fundamental entanglement related challenges have prevented quantum interference-based control (i.e. coherent control) of collisional cross sections from being implemented in the la…
Energy transfer under natural incoherent light: Effects of asymmetry on efficiency
Kenneth A. Jung, Paul Brumer
The non-equilibrium stationary coherences that form in donor-acceptor systems are investigated to determine their relationship to the efficiency of energy transfer to a neighboring…
Considerations regarding one-photon phase control
Cyrille Lavigne, Paul Brumer
The dynamics of a system interacting with an ultrashort pulse is known to depend on the phase content of said pulse. For linear absorption, phase control is possible over time-vary…
Observation of persistent orientation of chiral molecules by laser field with twisted polarization
Ilia Tutunnikov, Johannes Floß, Erez Gershnabel +4
Molecular chirality is an omnipresent phenomenon of fundamental significance in physics, chemistry and biology. For this reason, search for novel techniques for enantioselective co…
Ultrashort pulse two-photon coherent control of a macroscopic phenomena: light-induced current from channelrhodopsin-2 in live brain cells
Cyrille Lavigne, Paul Brumer
Coherent control is extended to macroscopic processes under continuous pulsed laser irradiation. Here, this approach is used to analyze the experimentally measured two-photon phase…
An efficient spectral method for numerical time-dependent perturbation theory
Cyrille Lavigne, Paul Brumer
We develop the Fourier-Laplace Inversion of the Perturbation Theory (FLIPT), a novel numerically exact "black box" method to compute perturbative expansions of the density matrix w…
Laser induced persistent orientation of chiral molecules
Ilia Tutunnikov, Johannes Floß, Erez Gershnabel +2
We show, both classically and quantum mechanically, enantioselective orientation of gas phase chiral molecules excited by laser fields with twisted polarization. Counterintuitively…
An efficient approach to the quantum dynamics and rates of processes induced by natural incoherent light
Simon Axelrod, Paul Brumer
In many important cases, the rate of excitation of a system embedded in an environment is significantly smaller than the internal system relaxation rates. An important example is t…
Laser-induced molecular alignment in the presence of chaotic rotational dynamics
Johannes Floß, Paul Brumer
Coherent control of chaotic molecular systems, using laser-assisted alignment of sulphur dioxide (SO) molecules in the presence of a static electric field as an example, is con…
Localized operator partitioning method for electronic excitation energies in the time-dependent density functional formalism
Jayashree Nagesh, Michael J. Frisch, Paul Brumer +1
We extend the localized operator partitioning method (LOPM) [J. Nagesh, A.F. Izmaylov, and P. Brumer, J. Chem. Phys. 142, 084114 (2015)] to the time-dependent density functional th…
Coherent dynamics of V-type systems driven by time-dependent incoherent radiation
Amro Dodin, Timur V. Tscherbul, Paul Brumer
Light induced processes in nature occur by irradiation with slowly turned-on incoherent light. The general case of time-dependent incoherent excitation is solved here analytically…
Quantum dynamics of incoherently driven V-type system: Analytic solutions beyond the secular approximation
Amro Dodin, Timur V. Tscherbul, Paul Brumer
We present closed-form analytic solutions to non-secular Bloch-Redfield master equations for quantum dynamics of a V-type system driven by weak coupling to a thermal bath. We focus…
Transform-Limited-Pulse Representation of Excitation with Natural Incoherent Light
Aurélia Chenu, Paul Brumer
We study the natural excitation of molecular systems, applicable to, for example, photosynthetic light-harvesting complexes, by natural incoherent light. In contrast with the conve…
Modified Bloch-Redfield Master Equation for Incoherent Excitation of Multilevel Quantum Systems
Timur V. Tscherbul, Paul Brumer
We present an efficient theoretical method for calculating the time evolution of the density matrix of a multilevel quantum system weakly interacting with incoherent light. The met…
An efficient implementation of the localized operator partitioning method for electronic energy transfer
Jayashree Nagesh, Artur F. Izmaylov, Paul Brumer
The localized operator partitioning method [Y. Khan and P. Brumer, J. Chem. Phys. 137, 194112 (2012)] rigorously defines the electronic energy on any subsystem within a molecule an…
Long-lived quasi-stationary coherences in V-type system driven by incoherent light
Timur V. Tscherbul, Paul Brumer
We present a theoretical study of noise-induced quantum coherences in a model three-level V-type system interacting with incoherent radiation, an important prototype for a wide ran…
Quantum Yields from Stationary States: Cis-Trans Isomerization of Model Retinal
T. V. Tscherbul, P. Brumer
Cis-trans isomerization in retinal, the first step in vision, is often computationally studied from a time dependent viewpoint. Motivation for such studies lies in coherent pulsed…
Local operator partitioning of electronic energy for electronic energy transfer: An efficient algorithm
Jayashree Nagesh, Artur F. Izmaylov, Paul Brumer
An efficient computational algorithm to implement a local operator approach to partitioning electronic energy in general molecular systems is presented. This approach, which rigoro…
Overlapping Resonances Interference-induced Transparency: The Photoexcitation Spectrum of Pyrazine
Timur Grinev, Moshe Shapiro, Paul Brumer
The phenomenon of "overlapping resonances interference-induced transparency" (ORIT) is introduced and studied in detail for the photoexcitation of cold pyrazine (…