About
a lifelong learner, currently a researcher at University of Cádiz, Spain
Material scientist interested (not only) in polymer informatics.
- Website of the group: https://tep946.uca.es/
- Current affiliation: Departamento de Ciencia de los Materiales e Ingeniería Metalúrgica y Química Inorgánica,
Facultad de Ciencias, IMEYMAT,
Campus Universitario Río San Pedro,
Puerto Real, Cádiz 11510, Spain
- ORCID: https://orcid.org/0000-0003-3572-225X
- Email: petra.bacova@uca.es
- Memberships: Member of the European Society of Rheology and The Spanish Royal Society of Chemistry
- Reviewing activities: Reviewer of Macromolecules, Polymers, Journal of Rheology, ACS Nano and Soft Matter journal
As I do not use social media, this website is my attempt to reach people that I cannot meet personally and that may find my research and related links useful.
Feel free to contact me anytime, I may not find the right answer for you, but I bet I will find some new questions in the process.
Useful links and tutorials
Gromacs simulation package
ESPResSo simulation package
Visual Molecular Dynamics
BioRender: Scientific Image and Illustration Software, used for my front page illustration
Gromacs version addapted for calculations of local stress
Replica Exchange tutorial
OPLS-AA force field files for Gromacs
Online tool which extracts points from scientific graphs
HPC Beginner Training Event
HPC Intermediate Training Event
HPC Advanced Training Event
EuroHPC access
Lecture about polymer entanglements
My report about the fudge parameter in Gromacs (elaborated for students starting with this package)
My short tutorial about differences between Lammps and Gromacs and InterMol package (elaborated for students which desire to switch between these two packages)
My list of the essential linux commands (basic notes for students)
My list of the essential vim commands to modify simulation files (basic notes for students)
My bash seminar, using simple bash commands to modify Gromacs files (elaborated for students to practice the theory summarized in the files above)
Bash-based game, after choosing a color and a polymer architecture a short video from simulation appears showing linear and star polymers made of beads of the chosen color (made for European Researchers' Night 2019)
Personality test, choose a polymer which suits your lifestyle (made for European Researchers' Night 2022, in Spanish)
Seminar "Computational modeling of materials: basic principles", PhD course "Current Trends in Nanoscience and Nanotechnology 2024", University of Cádiz, 23/02/2024
Seminar "Atomistic Molecular Dynamics Simulations: A Practical Approach", PhD course "Current Trends in Nanoscience and Nanotechnology 2024", University of Cádiz, 29/02/2024
Example of urea simulation, seminar "Atomistic Molecular Dynamics Simulations: A Practical Approach", PhD course "Current Trends in Nanoscience and Nanotechnology 2024", University of Cádiz, 29/02/2024
Invited lecture in RheoSamos 2024, summer school and workshop on rheology, 07/07/2024, Samos, Greece
Divulgation talk in a bar in Puerto Real, 17/10
Computer and Language Skills
Resume
Education
PhD in Physics of Nanostructures and Advanced Materials
2010 - 2014
University of the Basque Country, Spain
Thesis topic: Study of the molecular dynamics in branched polymers by means of computer simulations
Master of Physical Chemistry
2008 - 2010
Charles University in Prague, Czech Republic
Thesis topic: Linear semiflexible polyelectrolytes in solutions
Bachelor of Chemistry
2005-2008
Charles University in Prague, Czech Republic
Thesis topic: Study of persistence length of linear polyelectrolytes in solutions
Conferences and workshops
scientific talks and posters at more than 30 international conferences and workhops
Industrial trainings
17.-21.10.2011
Dow Terneuzen, Terneuzen, Netherlands
- DYNACOP Industrial Polymer Technology Training and Workshop
2-6.9.2012
Ludwigshafen, Germany
- BASF Industrial Days
Professional Experience
Marie Skłodowska-Curie Individual Fellowship
Jan 2024 - present
Universidad de Cádiz, Spain
- PITS3D project (Polymer Informatics Tools for Sustainable 3D printing)
"María Zambrano" postdoctoral fellow
Jan 2022 - Dec 2023
Universidad de Cádiz, Spain
- simulations of biodegradable polymers with applications in additive manufacturing
Postdoc fellow in collaboration with Goodyear
05/2018 -10/2020
05/2021 -12/2021
IACM-FORTH, Heraklion, Greece
- atomistic and mesoscopic simulations of polymers with applications in tire industry
Niarchos fellowship within ARCHERS project
04/2017 -03/2018
IACM-FORTH, Heraklion, Greece
- modeling of nanostructured materials with applications in energy
Postdoc fellow at Materials Physics Center (CSIC-UPV)
03/2016 -09/2016
Materials Physics Center (CSIC-UPV), San Sebastián, Spain
- participation in national project focused on single-chain nanoparticles
Research work within the ARISTEIA project
08/2014 -09/2015
IACM-FORTH, Heraklion, Greece
- atomistic simulations of graphene-based nanocomposites
Early stage researcher in DYNACOP project
2010 -2014
Materials Physics Center (CSIC-UPV), San Sebastián, Spain
- bead-spring simulations of architecturally complex polymers
Research work on modeling of neutral polymers and polyelectrolytes in solutions
2006-2010
Faculty of Science, Department of Physical and Macromolecular Chemistry, Charles University in Prague, Czech Republic
- basics of programming, statistical analysis, simulations of charged systems
Publications and cover artwork
The updated list of my publications can be found here
Some of them were promoted through back or front cover artwork, see below:
