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Andrés Montoya-Castillo

6PUBLICATIONS
8CO-AUTHORS
Photovoltaic power systemsLife historiesTheoretical quantum chemistryCondensed matter modelling and density functional theoryIntegrable systems (classical and quantum)
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Journal

Publications (6)

Sort by Publication Date:
|Dec 31, 2020
Excited state diabatization on the cheap using DFT: Photoinduced electron and hole transfer.

Yuezhi Mao, Andrés Montoya-Castillo, Thomas E Markland

|Jul 10, 2020
On the advantages of exploiting memory in Markov state models for biomolecular dynamics.

Siqin Cao, Andrés Montoya-Castillo, Wei Wang

|Nov 03, 2019
Accurate and efficient DFT-based diabatization for hole and electron transfer using absolutely localized molecular orbitals.

Yuezhi Mao, Andrés Montoya-Castillo, Thomas E Markland

|Aug 24, 2019
Optical spectra in the condensed phase: Capturing anharmonic and vibronic features using dynamic and static approaches.

Tim J Zuehlsdorff, Andrés Montoya-Castillo, Joseph A Napoli

|Jul 01, 2019
Efficient construction of generalized master equation memory kernels for multi-state systems from nonadiabatic quantum-classical dynamics.

William C Pfalzgraff, Andrés Montoya-Castillo, Aaron Kelly

|Mar 03, 2017
Approximate but accurate quantum dynamics from the Mori formalism. II. Equilibrium time correlation functions.

Andrés Montoya-Castillo, David R Reichman

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Frequent Collaborators

5 joint publications

Thomas E Markland

2 joint publications

Yuezhi Mao

1 joint publications

William C Pfalzgraff

1 joint publications

Aaron Kelly

1 joint publications

Tim J Zuehlsdorff

1 joint publications

Christine M Isborn

1 joint publications

Siqin Cao

1 joint publications

Xuhui Huang

Frequent Collaborators

5 joint publications

Thomas E Markland

2 joint publications

Yuezhi Mao

1 joint publications

William C Pfalzgraff

1 joint publications

Aaron Kelly

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