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A list of all the posts and pages found on the site. For you robots out there is an XML version available for digesting as well.
Pages
Posts
Sunday Recap
Published:
Sed helps me prepare files for ForceBalance
Sunday Recap
Published:
Soft memory limit exceeded
Sunday Recap
Published:
Research
portfolio
Molecular Dynamics simulations of polymer coated magnetic nanoparticles interfacing with lipid bilayers
Published:
This is the work I did as an undergrad in the University of Athens, Greece. I like to keep it in my portfolio to remind myself were I started and how far I have come in my research journey.
Angular momentum fluctuations in molecular simulations
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My first research project at Brown University when I was a first year Ph.D. student. I developed a phase transition diagnostic tool of 2D atomistic systems. In the image below you see the x and y coordinates of point particles that interact with a Lennard-Jones potential.
Statistical mechanics of lattice models
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Lattice models like the Ising and the XY model provide a playground for rigorous statistical mechanical analysis.
Large-deviations theory of polymer end-to-end distances
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The distribution of polymer sizes can be imagined as self-avoiding random walks.
Large-deviations theory of liquid crystal molecules
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The simplest phase transition that liquid crystals undergo is the isotropic -> nematic. Close to the nematic transition, the system forms domains that are very hard to quantify with molecular simulations.
Calculating the pKa of a ligand inside a protein
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Computational titration of a small (~75 atoms) organic ligand, called Biliverdin (B part of image below) inside the fluorescent protein Sandercyanin (A part of image below). Biliverdin works as the chromophore and when it is inside the protein the pKa of the two propionic chains shifts dramatically.
Ab Initio Molecular Dynamics
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The electrostatic potential of biliverdin as calculated with ab initio methods at the DFT level of theory.
publications
Paper Title Number 1
Published in Journal 1, 2009
This paper is about the number 1. The number 2 is left for future work.
Recommended citation: Your Name, You. (2009). "Paper Title Number 1." Journal 1. 1(1).
Download Paper | Download Slides
Paper Title Number 2
Published in Journal 1, 2010
This paper is about the number 2. The number 3 is left for future work.
Recommended citation: Your Name, You. (2010). "Paper Title Number 2." Journal 1. 1(2).
Download Paper | Download Slides
Paper Title Number 3
Published in Journal 1, 2015
This paper is about the number 3. The number 4 is left for future work.
Recommended citation: Your Name, You. (2015). "Paper Title Number 3." Journal 1. 1(3).
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Paper Title Number 4
Published in GitHub Journal of Bugs, 2024
This paper is about fixing template issue #693.
Recommended citation: Your Name, You. (2024). "Paper Title Number 3." GitHub Journal of Bugs. 1(3).
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talks
Talk 1 on Relevant Topic in Your Field
Published:
This is a description of your talk, which is a markdown files that can be all markdown-ified like any other post. Yay markdown!
Conference Proceeding talk 3 on Relevant Topic in Your Field
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This is a description of your conference proceedings talk, note the different field in type. You can put anything in this field.
teaching
Paper Review
Journal Club, University of North Carolina at Chapel Hill, Department of Chemistry, 2025
I reviewed this paper for the group. The main takehome messages are: