Researcher interests: Development of time-dependent density functional methods for studying electron dynamics in molecules and clusters, such as excitation energies, electron transmission probabilities through thin films and layers. Quantum Monte Carlo methods for high precisi
FACULTY / SCHOOL: Faculty of Science
DEPARTMENT: The Institute of Chemistry
Selected Publications
stochastic resolution of identity for real time second order green s function ionization potential and quasi particle spectrum (2019)|
Journal of Chemical Theory and Computation|
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stochastic embedding dft theory and application to p nitroaniline in water (2019)|
Journal of Chemical Physics|
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energy window stochastic density functional theory (2019)|
Journal of Chemical Physics|
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transition to metallization in warm dense helium hydrogen mixtures using stochastic density functional theory within the kubo greenwood formalism (2019)|
arXiv: Materials Science|
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stochastic embedding dft theory and application to p nitroaniline (2019)|
arXiv preprint arXiv:1905.07099|
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stochastic time dependent dft with optimally tuned range separated hybrids application to excitonic effects in large phosphorene sheets (2019)|
Journal of Chemical Physics|
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stochastic time dependent dft with optimally tuned range separated hybrids application to excitonic effects in large phosphorene sheets (2019)|
Journal of Chemical Physics|
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stochastic density functional theory (2019)|
Wiley Interdisciplinary Reviews: Computational Molecular Science|
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faster and more accurate stochastic gw (2019)|
Bulletin of the American Physical Society|
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nonmonotonic band gap evolution in bent phosphorene nanosheets (2019)|
arXiv preprint arXiv:1901.04665|
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spin blockades to relaxation of hot multi excitons in nanocrystals (2018)|
arXiv preprint arXiv:1809.08581|
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advances in molecular quantum chemistry contained in the q chem 4 program package (2015)|
Molecular Physics|
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curvature and frontier orbital energies in density functional theory (2013)|
Bulletin of the American Physical Society|
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excitation gaps of finite sized systems from optimally tuned range separated hybrid functionals (2012)|
Journal of Chemical Theory and Computation|
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