Dominikus Brian
Founder & CTO — AI for Science and Organoid Intelligence
Network
742 connectionsSummary
Work
Education
Projects
Writing
PyCTRAMER: A Python package for charge transfer rate constant of condensed‑phase systems
January 1, 2024Software and methods paper describing PyCTRAMER (package and algorithms) to compute CT rate constants for condensed‑phase systems, connecting Marcus theory to Fermi's golden rule.
Charge‑Transfer Landscape Manifesting the Structure–Rate Relationship in the Condensed Phase Via Machine Learning
November 1, 2021Develops an ML strategy mapping molecular structure to condensed‑phase charge‑transfer properties (rate constants, couplings, reorganization energies) and constructs a CT landscape enabling rapid prediction of CT properties from molecular conformations.
Linear‑response and nonlinear‑response formulations of the instantaneous Marcus theory for nonequilibrium photoinduced charge transfer
January 1, 2021Theory and computational work extending instantaneous Marcus formulations for nonequilibrium photoinduced charge transfer processes.
Generalized quantum master equation: a tutorial review and recent advances
January 1, 2021A tutorial/review on the generalized quantum master equation (GQME) and recent advances relevant to open quantum systems and condensed‑phase dynamics.
Hobbies
Gardening and reading (described as 'gardener of knowledge' and 'avid reader and gardener' on CV). dominikusbrian
Language learning (English, Chinese, Bahasa, Cantonese and German in progress). dominikusbrian
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