Related references
Note: Only part of the references are listed.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)
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)
Electronic spectra from TDDFT and machine learning in chemical space
Raghunathan Ramakrishnan et al.
JOURNAL OF CHEMICAL PHYSICS (2015)
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)
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)
Advances in molecular quantum chemistry contained in the Q-Chem 4 program package
Yihan Shao et al.
MOLECULAR PHYSICS (2015)
The Fenna-Matthews-Olson Protein Revisited: A Fully Polarizable (TD)DFT/MM Description
Sandro Jurinovich et al.
CHEMPHYSCHEM (2014)
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)
The FMO Complex in a Glycerol-Water Mixture
Mortaza Aghtar et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2013)
Machine learning of molecular electronic properties in chemical compound space
Gregoire Montavon et al.
NEW JOURNAL OF PHYSICS (2013)
Atomistic Study of the Long-Lived Quantum Coherences in the Fenna-Matthews-Olson Complex
Sangwoo Shim et al.
BIOPHYSICAL JOURNAL (2012)
Correlated intermolecular coupling fluctuations in photosynthetic complexes
Sebastiaan M. Vlaming et al.
JOURNAL OF CHEMICAL PHYSICS (2012)
On the alternatives for bath correlators and spectral densities from mixed quantum-classical simulations
Stephanie Valleau et al.
JOURNAL OF CHEMICAL PHYSICS (2012)
Computational methodologies and physical insights into electronic energy transfer in photosynthetic light-harvesting complexes
Leonardo A. Pachon et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2012)
Probing biological light-harvesting phenomena by optical cavities
Filippo Caruso et al.
PHYSICAL REVIEW B (2012)
Fast and Accurate Modeling of Molecular Atomization Energies with Machine Learning
Matthias Rupp et al.
PHYSICAL REVIEW LETTERS (2012)
Electronic energy transfer in model photosynthetic systems: Markovian vs. non-Markovian dynamics
Navinder Singh et al.
FARADAY DISCUSSIONS (2011)
Communication: Exciton-phonon information flow in the energy transfer process of photosynthetic complexes
Patrick Rebentrost et al.
JOURNAL OF CHEMICAL PHYSICS (2011)
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)
Quest for Spatially Correlated Fluctuations in the FMO Light-Harvesting Complex
Carsten Olbrich et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2011)
Modified Scaled Hierarchical Equation of Motion Approach for the Study of Quantum Coherence in Photosynthetic Complexes
Jing Zhu et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2011)
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)
On the Interpretation of Quantum Coherent Beats Observed in Two-Dimensional Electronic Spectra of Photosynthetic Light Harvesting Complexes
Akihito Ishizaki et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2011)
Absence of Quantum Oscillations and Dependence on Site Energies in Electronic Excitation Transfer in the Fenna-Matthews-Olson Trimer
Gerhard Ritschel et al.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2011)
Functional Subsystems and Quantum Redundancy in Photosynthetic Light Harvesting
Nolan Skochdopole et al.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2011)
Theory and Simulation of the Environmental Effects on FMO Electronic Transitions
Carsten Olbrich et al.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2011)
Efficient Energy Transfer in Light-Harvesting Systems, III: The Influence of the Eighth Bacteriochlorophyll on the Dynamics and Efficiency in FMO
Jeremy Moix et al.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2011)
Non-Markovian stochastic Schrodinger description of transport in quantum networks
Ines de Vega
JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS (2011)
Quantum oscillatory exciton migration in photosynthetic reaction centers
Darius Abramavicius et al.
JOURNAL OF CHEMICAL PHYSICS (2010)
Iterative linearized density matrix propagation for modeling coherent excitation energy transfer in photosynthetic light harvesting
P. Huo et al.
JOURNAL OF CHEMICAL PHYSICS (2010)
Time-Dependent Atomistic View on the Electronic Relaxation in Light-Harvesting System II
Carsten Olbrich et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2010)
Semiclassical Description of Electronic Excitation Population Transfer in a Model Photosynthetic System
Guohua Tao et al.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2010)
Quantum entanglement in photosynthetic light-harvesting complexes
Mohan Sarovar et al.
NATURE PHYSICS (2010)
Efficient energy transfer in light-harvesting systems, I: optimal temperature, reorganization energy and spatial-temporal correlations
Jianlan Wu et al.
NEW JOURNAL OF PHYSICS (2010)
Optimization of Exciton Trapping in Energy Transfer Processes
Jianshu Cao et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2009)
Environment-assisted quantum transport
Patrick Rebentrost et al.
NEW JOURNAL OF PHYSICS (2009)
The structural basis for the difference in absorbance spectra for the FMO antenna protein from various green sulfur bacteria
Dale E. Tronrud et al.
PHOTOSYNTHESIS RESEARCH (2009)
Influence of Complex Exciton-Phonon Coupling on Optical Absorption and Energy Transfer of Quantum Aggregates
Jan Roden et al.
PHYSICAL REVIEW LETTERS (2009)
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)
Environment-assisted quantum walks in photosynthetic energy transfer
Masoud Mohseni et al.
JOURNAL OF CHEMICAL PHYSICS (2008)
Dephasing-assisted transport: quantum networks and biomolecules
M. B. Plenio et al.
NEW JOURNAL OF PHYSICS (2008)
How solvent controls electronic energy transfer and light harvesting
Gregory D. Scholes et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2007)
Multichromophoric forster resonance energy transfer from B800 to B850 in the light harvesting complex 2: Evidence for subtle energetic optimization by purple bacteria
Seogjoo Jang et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2007)
Generalized neural-network representation of high-dimensional potential-energy surfaces
Joerg Behler et al.
PHYSICAL REVIEW LETTERS (2007)
How proteins trigger excitation energy transfer in the FMO complex of green sulfur bacteria
Julia Adolphs et al.
BIOPHYSICAL JOURNAL (2006)
Scalable molecular dynamics with NAMD
JC Phillips et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2005)
Gaussian split Ewald: A fast Ewald mesh method for molecular simulation
YB Shan et al.
JOURNAL OF CHEMICAL PHYSICS (2005)
An ab initio force field for the cofactors of bacterial photosynthesis
M Ceccarelli et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2003)
Excitons in a photosynthetic light-harvesting system: A combined molecular dynamics, quantum chemistry, and polaron model study
A Damjanovic et al.
PHYSICAL REVIEW E (2002)