Phase behavior of hard cylinders

JT Lopes, F Romano, E Grelet, LFM Franco… - The Journal of …, 2021 - pubs.aip.org
Using isobaric Monte Carlo simulations, we map out the entire phase diagram of a system of
hard cylindrical particles of length (L) and diameter (D) using an improved algorithm to …

Enhanced two-dimensional nematic order in slit-like pores

P Gurin, G Odriozola, S Varga - New Journal of Physics, 2021 - iopscience.iop.org
The effect of out-of-plane positional freedom is examined on the stability of two-dimensional
(2D) nematic order of hard non-spherical particles using the second virial density-functional …

Stacking Interactions and Flexibility of Human Telomeric Multimers

BP Rosi, V Libera, L Bertini, A Orecchini… - Journal of the …, 2023 - ACS Publications
G-quadruplexes (G4s) are helical four-stranded structures forming from guanine-rich nucleic
acid sequences, which are thought to play a role in cancer development and malignant …

Molecular dynamics simulations of anisotropic particles accelerated by neural-net predicted interactions

BR Argun, Y Fu, A Statt - The Journal of Chemical Physics, 2024 - pubs.aip.org
Rigid bodies, made of smaller composite beads, are commonly used to simulate anisotropic
particles with molecular dynamics or Monte Carlo methods. To accurately represent the …

Self‐Assembly of All‐DNA Rods with Controlled Patchiness

K Gvozden, S Novak Ratajczak, AG Orellana… - Small, 2022 - Wiley Online Library
Double‐stranded DNA (dsDNA) fragments exhibit noncovalent attractive interactions
between their tips. It is still unclear how DNA liquid crystal self‐assembly is affected by such …

Algorithm 1010: Boosting efficiency in solving quartic equations with no compromise in accuracy

AG Orellana, CD Michele - ACM Transactions on Mathematical Software …, 2020 - dl.acm.org
Aiming to provide a very accurate, efficient, and robust quartic equation solver for physical
applications, we have proposed an algorithm that builds on the previous works of P …

[HTML][HTML] Monte Carlo simulation of cylinders with short-range attractions

HW Hatch, NA Mahynski, RP Murphy, MA Blanco… - AIP advances, 2018 - pubs.aip.org
Cylindrical or rod-like particles are promising materials for the applications of fillers in
nanocomposite materials and additives to control rheological properties of colloidal …

Thermodynamic perturbation theory coefficients for hard spherocylinders and cylinders

NB de Souza, JT Lopes, LFM Franco - Fluid Phase Equilibria, 2022 - Elsevier
Thermodynamic perturbation theories are indispensable in the development of equations of
state based on Statistical Mechanics. Recently, a new statistical thermodynamic model has …

Connecting Structure, Conformation and Energetics of Human Telomere G-quadruplex Multimers

BP Rosi, V Libera, A Orecchini, S Corezzi… - arXiv preprint arXiv …, 2022 - arxiv.org
G-quadruplexes (G4s) are helical four-stranded structures forming from guanine-rich nucleic
acid sequences, which are thought to play a role in cancer development and malignant …

[PDF][PDF] Topical Issue on Dielectric Spectroscopy Applied to Soft Matter

S Napolitano - The European Physical Journal E, 2020 - Springer
Broadband Dielectric spectroscopy (BDS) is a well-established experimental technique,
successfully employed to characterize soft matter at the molecular level. The technique is …