Grigory Kolesov

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In Darwinian evolution, mutations occur approximately at random in a gene, turned into amino acid mutations by the genetic code. Some mutations are fixed to become substitutions and some are eliminated from the population. Partitioning pairs of closely related species with complete genome sequences by average population size of each pair, we looked at the(More)
Hydrogen production in photoelectrochemical cells constitutes an important avenue toward carbon-free fuel. The most convenient process for hydrogen production is the splitting of water molecules, which necessitates a catalytic reaction involving a semiconductor. Here, we introduce a framework for the study of photocatalyzed reactions on semiconductor(More)
A microsatellite has previously been identified in myostatin in cattle. Sequencing of this region from other artiodactyls coupled with phylogenetic analysis has been used to uncover the potential origins of the microsatellite event, which appears either to have been born twice or to have been gained and lost within ruminants. While caprids and ovids share(More)
Carbon interdigitated array (IDA) electrodes with features sizes down to 1.2 μm were fabricated by controlled pyrolysis of patterned photoresist. Cyclic voltammetry of reversible redox species produced the expected steady-state currents. The collection efficiency depends on the IDA electrode spacing, which ranged from around 2.7 to 16.5 μm, with the smaller(More)
Light-driven chemical reactions on semiconductor surfaces have potential for addressing energy and pollution needs through efficient chemical synthesis; however, little is known about the time evolution of excited states that determine reaction pathways. Here, we study the photo-oxidation of methoxy (CH3O) derived from methanol on the rutile TiO2(110)(More)
We present a computational tool, eReaxFF, for simulating explicit electrons within the framework of the standard ReaxFF reactive force field method. We treat electrons explicitly in a pseudoclassical manner that enables simulation several orders of magnitude faster than quantum chemistry (QC) methods, while retaining the ReaxFF transferability. We delineate(More)
We present a method for real-time propagation of electronic wave functions, within time-dependent density functional theory (RT-TDDFT), coupled to ionic motion through mean-field classical dynamics. The goal of our method is to treat large systems and complex processes, in particular photocatalytic reactions and electron transfer events on surfaces and thin(More)
In this work we study the effect of internal relaxation in a (Bu(4)N)(2)Ru(dcbpyH)(2)(NCS)(2) (N719) dye molecule in a dye sensitized solar cell. Experimentally measured light intensity dependencies of short circuit current and open circuit voltage for two different types of photoanodes, ZTO (Zn(2)SnO(4)) nanorods and nanoparticles, are explained in the(More)
Interdigitated array electrodes (IDAs) were used to produce steady-state electrogenerated chemiluminescence (ECL) by annihilation of oxidized and reduced forms of a substituted boron dipyrromethene (BODIPY) dye, 9,10-diphenylanthracene (DPA), and ruthenium(II) tris(bypiridine) (Ru(bpy)3(2+)). Digital simulations were in good agreement with the(More)
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