Search filters

List of works by Andrés Montoya-Castillo

Accurate and efficient DFT-based diabatization for hole and electron transfer using absolutely localized molecular orbitals

scientific article published on 01 October 2019

Approximate but accurate quantum dynamics from the Mori formalism. II. Equilibrium time correlation functions ⬇️

scientific article

Approximate but accurate quantum dynamics from the Mori formalism: I. Nonequilibrium dynamics ⬇️

scientific article published in May 2016

Charge Hopping Dynamics along a Disordered Chain in Quantum Environments: Comparative Study of Different Rate Kernels.

scientific article published on 2 April 2015

Efficient construction of generalized master equation memory kernels for multi-state systems from nonadiabatic quantum-classical dynamics

scientific article published on 01 June 2019

Energy Transfer from Quantum Dots to Graphene and MoS2: The Role of Absorption and Screening in Two-Dimensional Materials.

scientific article

Excited state diabatization on the cheap using DFT: Photoinduced electron and hole transfer

scientific article published on 01 December 2020

Extending the applicability of Redfield theories into highly non-Markovian regimes. ⬇️

scientific article published in November 2015

Generalized quantum master equations in and out of equilibrium: When can one win? ⬇️

scientific article published in May 2016

On the advantages of exploiting memory in Markov state models for biomolecular dynamics

scientific article published on 01 July 2020

Optical spectra in the condensed phase: Capturing anharmonic and vibronic features using dynamic and static approaches

scientific article published on 01 August 2019

Path integral approach to the Wigner representation of canonical density operators for discrete systems coupled to harmonic baths ⬇️

scientific article published on January 2017

Paulina is supported by:

About Paulina

Help