Andrés Montoya-Castillo

Publication Activity (10 Years)

Years Active: 2018-2024
Publications (10 Years): 19

Top Topics

Electron Transfer

Machine Learning

Molecular Dynamics

Top Venues

The Journal of chemical physics

Proceedings of the National Academy of Sciences of the United States of America

Journal of the American Chemical Society

The journal of physical chemistry letters

This page only lists publications with an associated author ORCID identifier.

Publications

Srijan Bhattacharyya, Thomas Sayer, Andrés Montoya-Castillo
Anomalous Transport of Small Polarons Arises from Transient Lattice Relaxation or Immovable Boundaries. The journal of physical chemistry letters 15 (5) (2024)
Srijan Bhattacharyya, Thomas Sayer, Andrés Montoya-Castillo
Anomalous Transport of Small Polarons Arises from Transient Lattice Relaxation or Immovable Boundaries. The journal of physical chemistry letters (2024)
Anthony J Dominic, Siqin Cao, Andrés Montoya-Castillo, Xuhui Huang
Memory Unlocks the Future of Biomolecular Dynamics: Transformative Tools to Uncover Physical Insights Accurately and Efficiently. Journal of the American Chemical Society 145 (18) (2023)
Rachelle Austin, Yusef R Farah, Thomas Sayer, Bradley M Luther, Andrés Montoya-Castillo, Amber T Krummel, Justin B Sambur
Hot carrier extraction from 2D semiconductor photoelectrodes. Proceedings of the National Academy of Sciences of the United States of America 120 (15) (2023)
Anthony J Dominic, Siqin Cao, Andrés Montoya-Castillo, Xuhui Huang
Memory Unlocks the Future of Biomolecular Dynamics: Transformative Tools to Uncover Physical Insights Accurately and Efficiently. Journal of the American Chemical Society 145 (18) (2023)
Thomas Sayer, Andrés Montoya-Castillo
Compact and complete description of non-Markovian dynamics. The Journal of chemical physics 158 (1) (2023)
Anthony J Dominic, Thomas Sayer, Siqin Cao, Thomas E Markland, Xuhui Huang, Andrés Montoya-Castillo
Building insightful, memory-enriched models to capture long-time biochemical processes from short-time simulations. Proceedings of the National Academy of Sciences of the United States of America 120 (12) (2023)
Michael S Chen, Yuezhi Mao, Andrew Snider, Prachi Gupta, Andrés Montoya-Castillo, Tim J Zuehlsdorff, Christine M Isborn, Thomas E Markland
Elucidating the Role of Hydrogen Bonding in the Optical Spectroscopy of the Solvated Green Fluorescent Protein Chromophore: Using Machine Learning to Establish the Importance of High-Level Electronic Structure. The journal of physical chemistry letters (2023)
Anthony J Dominic, Siqin Cao, Andrés Montoya-Castillo, Xuhui Huang
Memory Unlocks the Future of Biomolecular Dynamics: Transformative Tools to Uncover Physical Insights Accurately and Efficiently. Journal of the American Chemical Society (2023)
Austin O Atsango, Andrés Montoya-Castillo, Thomas E Markland
An accurate and efficient Ehrenfest dynamics approach for calculating linear and nonlinear electronic spectra. The Journal of chemical physics 158 (7) (2023)
Anthony J Dominic, Siqin Cao, Andrés Montoya-Castillo, Xuhui Huang
Memory Unlocks the Future of Biomolecular Dynamics: Transformative Tools to Uncover Physical Insights Accurately and Efficiently. Journal of the American Chemical Society 145 (18) (2023)
Anthony J Dominic, Thomas Sayer, Siqin Cao, Thomas E Markland, Xuhui Huang, Andrés Montoya-Castillo
Building insightful, memory-enriched models to capture long-time biochemical processes from short-time simulations. Proceedings of the National Academy of Sciences of the United States of America 120 (12) (2023)
Thomas Sayer, Yusef R Farah, Rachelle Austin, Justin Sambur, Amber T Krummel, Andrés Montoya-Castillo
Trion Formation Resolves Observed Peak Shifts in the Optical Spectra of Transition-Metal Dichalcogenides. Nano letters (2023)
Anthony J Dominic, Thomas Sayer, Siqin Cao, Thomas E Markland, Xuhui Huang, Andrés Montoya-Castillo
Building insightful, memory-enriched models to capture long-time biochemical processes from short-time simulations. Proceedings of the National Academy of Sciences of the United States of America 120 (12) (2023)
Andrés Montoya-Castillo, Thomas E Markland
A derivation of the conditions under which bosonic operators exactly capture fermionic structure and dynamics. The Journal of chemical physics 158 (9) (2023)
Yuezhi Mao, Andrés Montoya-Castillo, Thomas E Markland
Excited state diabatization on the cheap using DFT: Photoinduced electron and hole transfer. The Journal of chemical physics 153 (24) (2021)
Siqin Cao, Andrés Montoya-Castillo, Wei Wang, Thomas E Markland, Xuhui Huang
On the advantages of exploiting memory in Markov state models for biomolecular dynamics. The Journal of chemical physics 153 (1) (2021)
Yuezhi Mao, Andrés Montoya-Castillo, Thomas E Markland
Accurate and efficient DFT-based diabatization for hole and electron transfer using absolutely localized molecular orbitals. The Journal of chemical physics 151 (16) (2019)
Andrés Montoya-Castillo, David R Reichman
Approximate but accurate quantum dynamics from the Mori formalism. II. Equilibrium time correlation functions. The Journal of chemical physics 146 (8) (2018)