Zobrazeno 1 - 9
of 9
pro vyhledávání: '"Ruslan N. Tazhigulov"'
Autor:
Ruslan N. Tazhigulov, Shi-Ning Sun, Reza Haghshenas, Huanchen Zhai, Adrian T.K. Tan, Nicholas C. Rubin, Ryan Babbush, Austin J. Minnich, Garnet Kin-Lic Chan
Publikováno v:
PRX Quantum, Vol 3, Iss 4, p 040318 (2022)
Simulating complex molecules and materials is an anticipated application of quantum devices. With the emergence of hardware designed to target strong quantum advantage in artificial tasks, we examine how the same hardware behaves in modeling physical
Externí odkaz:
https://doaj.org/article/cfa8a768f6ee40d4b51c1246c4475cec
Autor:
Shi-Ning Sun, Mario Motta, Ruslan N. Tazhigulov, Adrian T.K. Tan, Garnet Kin-Lic Chan, Austin J. Minnich
Publikováno v:
PRX Quantum, Vol 2, Iss 1, p 010317 (2021)
Developing scalable quantum algorithms to study finite-temperature physics of quantum many-body systems has attracted considerable interest due to recent advancements in quantum hardware. However, such algorithms in their present form require resourc
Externí odkaz:
https://doaj.org/article/f1d89f4934e445cfa0a7d38948d2b554
An accurate but efficient description of noncovalent interactions is a key to predictive modeling of biological and materials systems. The effective fragment potential (EFP) is an ab initio-based force field that provides a physically meaningful deco
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::026a52016c6ee84f2fc275b697885312
https://resolver.caltech.edu/CaltechAUTHORS:20201125-103756620
https://resolver.caltech.edu/CaltechAUTHORS:20201125-103756620
Growing experimental and theoretical evidence points to the key role of cryptochrome proteins in magnetoreception by migratory birds and insects. Cryptochrome photoactivation is achieved through a cascade of electron transfer events leading to format
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::614d354a19517a5e3a7bc54d10563712
https://doi.org/10.26434/chemrxiv.12613865.v1
https://doi.org/10.26434/chemrxiv.12613865.v1
Autor:
Mario Motta, Shi-Ning Sun, Ruslan N. Tazhigulov, Garnet Kin-Lic Chan, Adrian T. K. Tan, Austin J. Minnich
Developing scalable quantum algorithms to study finite-temperature physics of quantum many-body systems has attracted considerable interest due to recent advancements in quantum hardware. However, such algorithms in their present form require resourc
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::4f584cc25fa899745c72020609506f8e
Autor:
Yongbin Kim, Ksenia B. Bravaya, Pradeep Kumar Gurunathan, Lyudmila V. Slipchenko, Ruslan N. Tazhigulov
Publikováno v:
Phys Chem Chem Phys
Redox reactions play a key role in various biological processes, including photosynthesis and respiration. Quantitative and predictive computational characterization of redox events is therefore highly desirable for enriching our knowledge on mechani
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a96a72f9c3954e9ef749e71a66f14982
https://pubmed.ncbi.nlm.nih.gov/31116217
https://pubmed.ncbi.nlm.nih.gov/31116217
eMap is a web-based platform for identifying and visualizing electron or hole transfer pathways in proteins based on their crystal structures. The underlying model can be viewed as a coarse-grained version of the Pathways model, where each tunneling
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::50a2869ce52fd2b1eaa5432efcd18275
https://doi.org/10.26434/chemrxiv.7889993.v1
https://doi.org/10.26434/chemrxiv.7889993.v1
Autor:
Pradeep Kumar Gurunathan, Ksenia B. Bravaya, Ruslan N. Tazhigulov, Kim Y, Lyudmila V. Slipchenko
Redox reactions play a key role in various biological processes, including photosynthesis and respiration. Quantitative and predictive computational characterization of redox events is therefore highly desirable for enriching our knowledge on mechani
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::3cb31cf38aa388f3f2415d8086eb0177
https://doi.org/10.26434/chemrxiv.7700018.v1
https://doi.org/10.26434/chemrxiv.7700018.v1
Publikováno v:
The Journal of Physical Chemistry Letters. 7:2490-2495
Quantitative prediction of the energetics of redox half-reactions is still a challenge for modern computational chemistry. Here, we propose a simple scheme for reliable calculations of vertical ionization and attachment energies, as well as of redox
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::448540e72dac53a1a734135a9cb376bb
https://doi.org/10.1021/acs.jpclett.6b00893
https://doi.org/10.1021/acs.jpclett.6b00893