Publications (17)
Probing the sp^2 dependence of elastic moduli in ultrahard diamond films
Maria Fyta, G. C. Hadjisavvas, P. C. Kelires
Parallel multiscale modeling of biopolymer dynamics with hydrodynamic correlations
Maria Fyta, Jayanta Sircar, Efthimios Kaxiras +3
Coupling Lattice Boltzmann with Atomistic Dynamics for the multiscale simulation of nano-biological flows
Maria Fyta, Simone Melchionna, Efthimios Kaxiras +1
Numerical simulation of conformational variability in biopolymer translocation through wide nanopores
Maria Fyta, Simone Melchionna, Massimo Bernaschi +2
Ionic force field optimization based on single-ion and ion-pair solvation properties
Maria Fyta, Immanuel Kalcher, Joachim Dzubiella +2
Hydrodynamic correlations in the translocation of biopolymer through a nanopore: theory and multiscale simulations
Maria Fyta, Simone Melchionna, Sauro Succi +1
Ab initio supercell calculations on nitrogen-vacancy center in diamond: its electronic structure and hyperfine tensors
Adam Gali, Maria Fyta, Efthimios Kaxiras
Electrokinetic Lattice Boltzmann solver coupled to Molecular Dynamics: application to polymer translocation
Adwait V. Datar, Maria Fyta, Umberto Marini Bettolo Marconi +1
Quantized biopolymer translocation through nanopores: departure from simple scaling
Simone Melchionna, Massimo Bernaschi, Maria Fyta +2
Quantized current blockade and hydrodynamic correlations in biopolymer translocation through nanopores: evidence from multiscale simulations
Massimo Bernaschi, Simone Melchionna, Sauro Succi +2
Stress variations near surfaces in diamond-like amorphous carbon
Maria Fyta, Pantelis C. Kelires
Multiscale modeling of biopolymer translocation through a nanopore
Maria Fyta, Simone Melchionna, Efthimios Kaxiras +1
Multiscale model of electronic behavior and localization in stretched dry DNA
Ryan Barnett, Paul Maragakis, Ari Turner +2
Exploring DNA translocation through a nanopore via a multiscale Lattice-Boltzmann Molecular-Dynamics methodology
Simone Melchionna, Maria Fyta, Efthimios Kaxiras +1
Large scale simulation of quantum-mechanical molecular dynamics for nano-polycrystalline diamond
Takeo Hoshi, Toshiaki Iitaka, Maria Fyta
Carbon-based nanostructured composite films: elastic, mechanical and optoelectronic properties derived from computer simulations
Maria Fyta, Christos Mathioudakis, Ioannis N. Remediakis +1
Simulations on the elastic response of amorphous and nanocomposite carbon
Maria Fyta, P. C. Kelires