Pinned Repositories
.github
Assemble
a tool aimed at generating atomistic polymeric mixtures ready for simulation in Gromacs
Biochar_MolecularModels
Molecular models of woody biochars at HTT 400C, 600C and 800C; and a collection of experimental property datasets for woody biochars
ClayCode
automate the setup of atomistic clay models for classical molecular dynamics simulations with GROMACS
ClayCode-workshop
RiP workshop files
DynDen
A software to assess convergence of molecular dynamics simulations of interfacial phenomena (and printing 🦖)
erastova-group.github.io
gitpages
Porous_Biochars_Models
Porous biochar molcular models created with Virtual Atom approach, representative of woody biochars produced at 600-650C.
Erastova Group's Repositories
Erastova-group/ClayCode
automate the setup of atomistic clay models for classical molecular dynamics simulations with GROMACS
Erastova-group/Biochar_MolecularModels
Molecular models of woody biochars at HTT 400C, 600C and 800C; and a collection of experimental property datasets for woody biochars
Erastova-group/.github
Erastova-group/Assemble
a tool aimed at generating atomistic polymeric mixtures ready for simulation in Gromacs
Erastova-group/ClayCode-workshop
RiP workshop files
Erastova-group/DynDen
A software to assess convergence of molecular dynamics simulations of interfacial phenomena (and printing 🦖)
Erastova-group/erastova-group.github.io
gitpages
Erastova-group/Porous_Biochars_Models
Porous biochar molcular models created with Virtual Atom approach, representative of woody biochars produced at 600-650C.