Whatsoever thy hand findeth to do, do it with thy might: for there is no work, nor device, nor knowledge, nor wisdom, in the grave whither thou goest. Eccl. 9,10
I'en ay veu l'experience en plusieurs: qui ne l'ont peu quand ilz vouloient: car ne l'avoient faict quand le povoient. Rabelais
Morgen, morgen, nur nicht heute, sagen alle faulen Leute!

Below you can see the tasks waiting to be solved. The tasks are distributed between somewhat larger projects. There titles of the projects are printed in bold. Please feel free to ask me about any task you are interested in.
Project: TaskDescriptionCredits
Electronic Structure and Properties of Transition Metal Complexes & Related Solids : Electronic structure of oxide materialsTo study the band structure of superconducting oxides La2CuO4, LaCoO3, and KBaBiO3 analytically and numerically30
Electronic Structure and Properties of Transition Metal Complexes & Related Solids : Theory of Spin Transitions in Metal Complexes. Cooperative effects in spin transitions in molecular crystalsDevelop theory and a tool for molecular modeling of crystals formed by spin activie molecules. Thermodynamical aspects80
Electronic Structure and Properties of Transition Metal Complexes & Related Solids : Theory of Spin Transitions in Metal Complexes. Kinetics of spin transitions in molecular crystalsDevelop theory and a tool for molecular modeling of crystals formed by spin activie molecules. Kinetic aspects80
Electronic Structure and Properties of Transition Metal Complexes & Related Solids : Quantum Theory of Catalysis by transition metal complexes. Electronic structure of oxene complexes of metal pophyrinsTo study (with use of the catal program) the metalloporphyrin complexes with O and O_2 as related to their monoxygenase action.30
Electronic Structure and Properties of Transition Metal Complexes & Related Solids : Electronic structure of oxide materials. Effect of Copper 4s-States on electronic Structure of CuO_2 Layer in a Six-Band ModelTo study the six-bands model of CuO_2 layer of cuprate superconductor30
Electronic Structure and Properties of Transition Metal Complexes & Related Solids : Theory of Spin Transitions in Metal Complexes. Spin transitions in LaCoO3 and other perovskites of this type.An extension of the ECF/ECFMM treatements to the spin transitions in LaCoO3 and other perovskites of this type 50
Internet accessibility of the home and third party software (NetLaboratory) : Servers maintanenceTo maintain the group servers in a working condition, following my indications. Improving appeareance and functionality. Border condition: the functionality cannot reduce at any moment. Credits are assigned on the yearly basis 100
Internet accessibility of the home and third party software (NetLaboratory) : Execution time controlled requests from NetLabTo add execution time based management of the requests from the central server of the NetLab to its calculation servers. Python.10
Electronic Structure and Properties of Transition Metal Complexes & Related Solids : Electronic (d-d) spectra of clathrochelatesStudy electronic (d-d) spectra of clathrochelates of transition metal complexes with use of ecf2.530
Electronic Structure and Properties of Transition Metal Complexes & Related Solids : Electronic (d-d) spectra of metalloporphyrinsStudy electronic (d-d) spectra of metalloporphyrins of transition metal complexes with use of ecf2.5 30
Electronic Structure and Properties of Transition Metal Complexes & Related Solids : Developing single parameterization for 2+ and 3+ transition metal complexesTo develop a single parameters set usable for calculation of di- and trivalent transition metal complexes by the ecf method30
Electronic Structure and Properties of Transition Metal Complexes & Related Solids : Spatial structure and thermodynamics of metalloclathrochelatesCalculating spatial structure and thermodynamics of metalloclathrochelates with use of ecfmm 30
Electronic Structure and Properties of Transition Metal Complexes & Related Solids : Mössbauer spectra of iron porpyrinsTo study Mössbauer spectra of iron porpyrins with use of ecf2.5 or ecf-sindo suits20
O(N) Methods of Analysis of Molecular Electronic Structure and Foundations of Molecular Mechanics and Hybrid QM/MM Methods: lead to a book Hybrid Methods of Molecular Modeling available from Springer.: Deductive molecular mechanics of heavy transition metalsTo develop the deductive molecular mechanics of heavy transition metals using the idea of sd- and spd-hybridization. Analytical and numerical work. C++.80
Internet accessibility of the home and third party software (NetLaboratory) : To deveiop a C++ or PHP function forming a Molecule object from the users input; The input is a organized as a tree of blocks, whereas the Molecule object is a collection of four trees: composition, molgraph, geometry, and structure (electronic). The blocks to be added are either supplied manually in an interactive regive (PHP) or are given as an input file. 60
O(N) Methods of Analysis of Molecular Electronic Structure and Foundations of Molecular Mechanics and Hybrid QM/MM Methods: lead to a book Hybrid Methods of Molecular Modeling available from Springer.: Ab initio molecular mechanics To develop ab initio molecular mechanics on the basis of analysis of the SLG wave function in the ab initio context. Second stage includes establishing the form of the hybridization manifold and its coordinatization. Analytic work.100
O(N) Methods of Analysis of Molecular Electronic Structure and Foundations of Molecular Mechanics and Hybrid QM/MM Methods: lead to a book Hybrid Methods of Molecular Modeling available from Springer.: Ab initio molecular mechanics To develop ab initio molecular mechanics on the basis of analysis of SLG wave function. Second stage includes establishing the form of the hybridization manifold and its coordinatization. Numeric experiments with the home ab initio suite.100
Computational Electrochemistry: Moldeling of metal nano-clusters20
Internet accessibility of the home and third party software (NetLaboratory) : To deveiop a C++ function forming a Molecule object from the structure databases output. 10
Electronic Structure and Properties of Transition Metal Complexes & Related Solids : Study electronic (d-d) spectra of heteropolyanions of transition metals with use of ecf2.5 15
Internet accessibility of the home and third party software (NetLaboratory) : To migrate the NetLab central server to *.22810
Complex of programs for modeling molecular electronics devices (Cartesius): To develop the Model class describing the way and implementing how the properties of molecules can be calculated from the properties of their parts. 30