4.8 Article

Machine learning exciton dynamics

Related references

Note: Only part of the references are listed.
Article Chemistry, Multidisciplinary

Learning from the Harvard Clean Energy Project: The Use of Neural Networks to Accelerate Materials Discovery

Edward O. Pyzer-Knapp et al.

ADVANCED FUNCTIONAL MATERIALS (2015)

Article Chemistry, Physical

Fourier series of atomic radial distribution functions: A molecular fingerprint for machine learning models of quantum chemical properties

O. Anatole von Lilienfeld et al.

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY (2015)

Article Chemistry, Physical

Electronic spectra from TDDFT and machine learning in chemical space

Raghunathan Ramakrishnan et al.

JOURNAL OF CHEMICAL PHYSICS (2015)

Article Chemistry, Physical

Influence of Force Fields and Quantum Chemistry Approach on Spectral Densities of BChl a in Solution and in FMO Proteins

Suryanarayanan Chandrasekaran et al.

JOURNAL OF PHYSICAL CHEMISTRY B (2015)

Article Chemistry, Physical

Machine Learning Predictions of Molecular Properties: Accurate Many-Body Potentials and Nonlocality in Chemical Space

Katja Hansen et al.

JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2015)

Article Chemistry, Physical

Advances in molecular quantum chemistry contained in the Q-Chem 4 program package

Yihan Shao et al.

MOLECULAR PHYSICS (2015)

Article Chemistry, Physical

The Fenna-Matthews-Olson Protein Revisited: A Fully Polarizable (TD)DFT/MM Description

Sandro Jurinovich et al.

CHEMPHYSCHEM (2014)

Article Chemistry, Physical

Toward Reliable Prediction of the Energy Ladder in Multichromophoric Systems: A Benchmark Study on the FMO Light-Harvesting Complex

Nanna Holmgaard List et al.

JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2013)

Article Chemistry, Physical

The FMO Complex in a Glycerol-Water Mixture

Mortaza Aghtar et al.

JOURNAL OF PHYSICAL CHEMISTRY B (2013)

Article Physics, Multidisciplinary

Machine learning of molecular electronic properties in chemical compound space

Gregoire Montavon et al.

NEW JOURNAL OF PHYSICS (2013)

Article Chemistry, Physical

Correlated intermolecular coupling fluctuations in photosynthetic complexes

Sebastiaan M. Vlaming et al.

JOURNAL OF CHEMICAL PHYSICS (2012)

Article Chemistry, Physical

On the alternatives for bath correlators and spectral densities from mixed quantum-classical simulations

Stephanie Valleau et al.

JOURNAL OF CHEMICAL PHYSICS (2012)

Article Chemistry, Physical

Computational methodologies and physical insights into electronic energy transfer in photosynthetic light-harvesting complexes

Leonardo A. Pachon et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2012)

Article Materials Science, Multidisciplinary

Probing biological light-harvesting phenomena by optical cavities

Filippo Caruso et al.

PHYSICAL REVIEW B (2012)

Article Physics, Multidisciplinary

Fast and Accurate Modeling of Molecular Atomization Energies with Machine Learning

Matthias Rupp et al.

PHYSICAL REVIEW LETTERS (2012)

Article Chemistry, Physical

Electronic energy transfer in model photosynthetic systems: Markovian vs. non-Markovian dynamics

Navinder Singh et al.

FARADAY DISCUSSIONS (2011)

Article Chemistry, Physical

Communication: Exciton-phonon information flow in the energy transfer process of photosynthetic complexes

Patrick Rebentrost et al.

JOURNAL OF CHEMICAL PHYSICS (2011)

Article Chemistry, Physical

High-Performance Solution of Hierarchical Equations of Motion for Studying Energy Transfer in Light-Harvesting Complexes

Christoph Kreisbeck et al.

JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2011)

Article Chemistry, Physical

Quest for Spatially Correlated Fluctuations in the FMO Light-Harvesting Complex

Carsten Olbrich et al.

JOURNAL OF PHYSICAL CHEMISTRY B (2011)

Article Chemistry, Physical

From Atomistic Modeling to Excitation Transfer and Two-Dimensional Spectra of the FMO Light-Harvesting Complex

Carsten Olbrich et al.

JOURNAL OF PHYSICAL CHEMISTRY B (2011)

Article Chemistry, Physical

Functional Subsystems and Quantum Redundancy in Photosynthetic Light Harvesting

Nolan Skochdopole et al.

JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2011)

Article Chemistry, Physical

Theory and Simulation of the Environmental Effects on FMO Electronic Transitions

Carsten Olbrich et al.

JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2011)

Article Optics

Non-Markovian stochastic Schrodinger description of transport in quantum networks

Ines de Vega

JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS (2011)

Article Chemistry, Physical

Quantum oscillatory exciton migration in photosynthetic reaction centers

Darius Abramavicius et al.

JOURNAL OF CHEMICAL PHYSICS (2010)

Article Chemistry, Physical

Time-Dependent Atomistic View on the Electronic Relaxation in Light-Harvesting System II

Carsten Olbrich et al.

JOURNAL OF PHYSICAL CHEMISTRY B (2010)

Article Chemistry, Physical

Semiclassical Description of Electronic Excitation Population Transfer in a Model Photosynthetic System

Guohua Tao et al.

JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2010)

Article Physics, Multidisciplinary

Quantum entanglement in photosynthetic light-harvesting complexes

Mohan Sarovar et al.

NATURE PHYSICS (2010)

Article Chemistry, Physical

Optimization of Exciton Trapping in Energy Transfer Processes

Jianshu Cao et al.

JOURNAL OF PHYSICAL CHEMISTRY A (2009)

Article Physics, Multidisciplinary

Environment-assisted quantum transport

Patrick Rebentrost et al.

NEW JOURNAL OF PHYSICS (2009)

Article Multidisciplinary Sciences

Theoretical examination of quantum coherence in a photosynthetic system at physiological temperature

Akihito Ishizaki et al.

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2009)

Article Chemistry, Physical

Environment-assisted quantum walks in photosynthetic energy transfer

Masoud Mohseni et al.

JOURNAL OF CHEMICAL PHYSICS (2008)

Article Physics, Multidisciplinary

Dephasing-assisted transport: quantum networks and biomolecules

M. B. Plenio et al.

NEW JOURNAL OF PHYSICS (2008)

Article Chemistry, Physical

How solvent controls electronic energy transfer and light harvesting

Gregory D. Scholes et al.

JOURNAL OF PHYSICAL CHEMISTRY B (2007)

Article Physics, Multidisciplinary

Generalized neural-network representation of high-dimensional potential-energy surfaces

Joerg Behler et al.

PHYSICAL REVIEW LETTERS (2007)

Review Chemistry, Multidisciplinary

Scalable molecular dynamics with NAMD

JC Phillips et al.

JOURNAL OF COMPUTATIONAL CHEMISTRY (2005)

Article Chemistry, Physical

Gaussian split Ewald: A fast Ewald mesh method for molecular simulation

YB Shan et al.

JOURNAL OF CHEMICAL PHYSICS (2005)

Article Chemistry, Multidisciplinary

An ab initio force field for the cofactors of bacterial photosynthesis

M Ceccarelli et al.

JOURNAL OF COMPUTATIONAL CHEMISTRY (2003)