161 citations · 1.1k across the 39 of their papers we have counts for
9 papers · 1 filter
Evolutionary chemical learning in dimerization networks
Alexei V. Tkachenko, Bortolo Matteo Mognetti, Sergei Maslov
We present a framework for chemical learning based on Competitive Dimerization Networks (CDNs) - systems in which multiple molecular species, e.g., proteins, DNA oligomers, or RNA…
Using Markov transition matrices to generate trial configurations in Markov chain Monte Carlo simulations
Joel Mabillard, Isha Malhotra, Bortolo Matteo Mognetti
We propose a new Markov chain Monte Carlo method in which trial configurations are generated by evolving a state, sampled from a prior distribution, using a Markov transition matri…
Free energy of ligand-receptor systems forming multimeric complexes
Lorenzo Di Michele, Stephan J. Bachmann, Lucia Parolini +1
Ligand-receptor interactions are ubiquitous in biology and have become popular in materials in view of their applications to programmable self-assembly. Although, complex functiona…
Coarse-grained models for fluids and their mixtures: Comparison of Monte Carlo studies of their phase behavior with perturbation theory and experiment
B. M. Mognetti, P. Virnau, L. Yelash +4
The prediction of the equation of state and the phase behavior of simple fluids (noble gases, carbon dioxide, benzene, methane, short alkane chains) and their mixtures by Monte Car…
Spherically averaged versus angle-dependent interactions in quadrupolar fluids
Bortolo Matteo Mognetti, Martin Oettel, Leonid Yelash +3
Employing simplified models in computer simulation is on the one hand often enforced by computer time limitations but on the other hand it offers insights into the molecular proper…
Efficient prediction of thermodynamic properties of quadrupolar fluids from simulation of a coarse-grained model: The case of carbon dioxide
Bortolo Matteo Mognetti, Leonid Yelash, Peter Virnau +4
Monte Carlo simulations are presented for a coarse-grained model of real quadrupolar fluids. Molecules are represented by particles interacting with Lennard-Jones forces plus the t…
Polymer size in dilute solutions in the good-solvent regime
Sergio Caracciolo, Bortolo Matteo Mognetti, Andrea Pelissetto
We determine the density expansion of the radius of gyration, of the hydrodynamic radius, and of the end-to-end distance for a monodisperse polymer solution in good-solvent conditi…
Virial coefficients and osmotic pressure in polymer solutions in good-solvent conditions
Sergio Caracciolo, Bortolo Matteo Mognetti, Andrea Pelissetto
We determine the second, third, and fourth virial coefficients appearing in the density expansion of the osmotic pressure of a monodisperse polymer solution in good-solvent conditi…
Two-Dimensional Heisenberg Model with Nonlinear Interactions: 1/N Corrections
Sergio Caracciolo, Bortolo Matteo Mognetti, Andrea Pelissetto
We investigate a two-dimensional classical W(\bsigma_i\cdot \bsigma_j)$ in the large-N limit, focusing on the finite-tem…