ArticleJournal of chemical theory and computation2012
Open Quantum Dynamics Calculations with the Hierarchy Equations of Motion on Parallel Computers.
Article in Journal of chemical theory and computation, 2012. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 14 papers.
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Who cites it
14 citing papers in PubMed.
- Determining interchromophore effects for energy transport in molecular networks using machine-learning algorithms.Physical chemistry chemical physics : PCCP · 2023Article
- Predicting the future of excitation energy transfer in light-harvesting complex with artificial intelligence-based quantum dynamics.Nature communications · 2022Article
- Quantum-Classical Approach for Calculations of Absorption and Fluorescence: Principles and Applications.Journal of chemical theory and computation · 2021Article
- Analytic expressions for the steady-state current with finite extended reservoirs.The Journal of chemical physics · 2020Article
- Ultrafast Spectroscopy of Photoactive Molecular Systems from First Principles: Where We Stand Today and Where We Are Going.Journal of the American Chemical Society · 2020Article
- Effect of Time-Delayed Feedback on the Interaction of a Dimer System with its Environment.Scientific reports · 2017Article
- Determination of Cell Doubling Times from the Return-on-Investment Time of Photosynthetic Vesicles Based on Atomic Detail Structural Models.The journal of physical chemistry. B · 2017Article
- Article
- Atomic Detail Visualization of Photosynthetic Membranes with GPU-Accelerated Ray Tracing.Parallel computing · 2016Article
- Efficiency of energy funneling in the photosystem II supercomplex of higher plants.Chemical science · 2016Article
- Optimal Energy Transfer in Light-Harvesting Systems.Molecules (Basel, Switzerland) · 2015Review
- Using non-Markovian measures to evaluate quantum master equations for photosynthesis.Scientific reports · 2015Article
- Light harvesting by lamellar chromatophores in Rhodospirillum photometricum.Biophysical journal · 2014Article
- Excited state dynamics in photosynthetic reaction center and light harvesting complex 1.The Journal of chemical physics · 2012Article
Corrections and comments
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Authors and funding
2 authors.
Funding
Abstract
Calculating the evolution of an open quantum system, i.e., a system in contact with a thermal environment, has presented a theoretical and computational challenge for many years. With the advent of supercomputers containing large amounts of memory and many processors, the computational challenge posed by the previously intractable theoretical models can now be addressed. The hierarchy equations of motion present one such model and offer a powerful method that remained under-utilized so far due to its considerable computational expense. By exploiting concurrent processing on parallel computers the hierarchy equations of motion can be applied to biological-scale systems. Herein we introduce the quantum dynamics software PHI, that solves the hierarchical equations of motion. We describe the integrator employed by PHI and demonstrate PHI's scaling and efficiency running on large parallel computers by applying the software to the calculation of inter-complex excitation transfer between the light harvesting complexes 1 and 2 of purple photosynthetic bacteria, a 50 pigment system.
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Registered trials
Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.