Pinned Repositories
Aggrecan
SCF simulation diblock comb brush
aggrecans
sf-box simulations of aggrecan-like brushes
ascf
analytical predictions of the flat brush properties according ASCF theory
AutoDPDCalc
Auto run of DPD simulation
Benzines
spectra data for classification of benzine mixtures
bibparser
parser of the latex bib-file for report in docx format
BOX_FLAT_LIPID
Creation dpdl input files
brush_interaction
sfbox example
scf_lib
Self consistent field simulation
spectrum
Opus API
IvanMikhailovIMCRAS's Repositories
IvanMikhailovIMCRAS/Flex_3
SCF simulation of binary polymer brushes under external potential
IvanMikhailovIMCRAS/Dipolar_Brush_Interaction
program for SCF simulation of dipolar polymer brushes
IvanMikhailovIMCRAS/Benzines
spectra data for classification of benzine mixtures
IvanMikhailovIMCRAS/invtempbeta
Calcuation of inverse temperature (thermodynamic beta) of the polymer chain adsorption
IvanMikhailovIMCRAS/spectrum
Opus API
IvanMikhailovIMCRAS/Constructor
To construct various molecules in 3D
IvanMikhailovIMCRAS/Aggrecan
SCF simulation diblock comb brush
IvanMikhailovIMCRAS/Metrics
Some metrics for simulation data analysis
IvanMikhailovIMCRAS/magic
some test t-SNE
IvanMikhailovIMCRAS/OLD_DPD
Dissipative particle dynamics
IvanMikhailovIMCRAS/Persistence
Calculate between Kuhn length, persistence legth and angle rigidity
IvanMikhailovIMCRAS/Pydantic_template
Template
IvanMikhailovIMCRAS/Clusterization
Defining claster id in decart coordinates
IvanMikhailovIMCRAS/spectrum_storage
varios IR spectra
IvanMikhailovIMCRAS/AutoDPDCalc
Auto run of DPD simulation
IvanMikhailovIMCRAS/train_repo
private repository for myself trainings
IvanMikhailovIMCRAS/Ring
Creation of polimer ring
IvanMikhailovIMCRAS/Diblocs
Diblocks for dpd simulation
IvanMikhailovIMCRAS/Inv_temp_beta
Library to calculation of inverted temperature of polymer adsorption
IvanMikhailovIMCRAS/equation_test_program
IvanMikhailovIMCRAS/Molecular_Mechanics
2d MM
IvanMikhailovIMCRAS/test
IvanMikhailovIMCRAS/Flex_2_2
SCF calculation for binary brushes in selective solvent
IvanMikhailovIMCRAS/random_chain
Generation of random chain (simple)
IvanMikhailovIMCRAS/format-README
Формат файла README
IvanMikhailovIMCRAS/Flex_api
Class for API interacting flex.exe program
IvanMikhailovIMCRAS/Flex_2_0
Package for SCF simulations of binary brushes in selective solvent
IvanMikhailovIMCRAS/examples
Fortran and Python examples to accompany the book "Computer Simulation of Liquids" by Michael P. Allen and Dominic J. Tildesley (2nd edition, Oxford University Press, 2017). Use the "Clone or download" button, or follow the "...releases" link below.
IvanMikhailovIMCRAS/PCR_Benzine