32 citations · 79 across the 9 of their papers we have counts for
10 papers
A Visual Understanding of Circular Dichroism Spectroscopy: The Case of Interacting Chromophores
Braden M. Weight, Aaron Forde, Sergei Tretiak
Exciton coupling shapes the photophysical and chiroptical properties of molecular aggregates, but a microscopic, real-space understanding of how intermolecular interactions generat…
Helically Enhanced Chiroptical Response and Symmetry Breaking in Conjugated Polymers
Aaron Forde, Braden M. Weight, Prashanna Poudel +5
Chiral -conjugated polymers are an attractive material platform for spin polarized carrier-transport and spectroscopy, but fundamental considerations for how torsional disorder…
Spin-Flip Configuration Interaction for Strong Static Correlation in Quantum Electrodynamics
Braden M. Weight, Zheng Pei, Sergei Tretiak
In computational chemistry of molecular materials, strong static correlation effects appear when electronic states, often involving the ground state, become quasi-degenerate, as oc…
Auxiliary Field Quantum Monte Carlo for Electron-Photon Correlation
Braden M. Weight, Yu Zhang
Hybrid light-matter polaritonic states have shown great promise for altering already known and enabling novel chemical reactions and controlling photophysical phenomena. This field…
Reciprocal Asymptotically Decoupled Hamiltonian for Cavity Quantum Electrodynamics
Michael A. D. Taylor, Braden M. Weight, Pengfei Huo3
We develop a new theoretical framework for describing light-matter interactions in cavity quantum electrodynamics (QED), optimized for efficient convergence at arbitrarily strong c…
A Diffusion Quantum Monte Carlo Approach to the Polaritonic Ground State
Braden M. Weight, Sergei Tretiak, Yu Zhang
Making and using polaritonic states (i.e., hybrid electron-photon states) for chemical applications have recently become one of the most prominent and active fields that connects t…
Theory and modeling of light-matter interactions in chemistry: current and future
Braden M. Weight, Xinyang Li, Yu Zhang
Light-matter interaction not only plays an instrumental role in characterizing materials' properties via various spectroscopic techniques but also provides a general strategy to ma…
Quasi-Diabatic Propagation Scheme for Simulating Polariton Chemistry
Deping Hu, Arkajit Mandal, Braden M. Weight +1
We generalize the quasi-diabatic (QD) propagation scheme to simulate the non-adiabatic polariton dynamics in molecule-cavity hybrid systems. The adiabatic-Fock states, which are th…
Ab-initio Symmetric Quasi-Classical Approach to Investigate Molecular Tully Models
Braden M. Weight, Arkajit Mandal, Pengfei Huo
We perform on-the-fly non-adiabatic molecular dynamics simulations using the symmetrical quasi-classical (SQC) approach with the recently suggested molecular Tully models: ethylene…
Structure and Stability of Charged Colloid-Nanoparticle Mixtures
Braden M. Weight, Alan R. Denton
Physical properties of colloidal materials can be modified by addition of nanoparticles. Within a model of like-charged mixtures of particles governed by effective electrostatic in…