Marta B. Ferraro

11 papers Journal 10Unranked 1
YearRankTypeTitle / Venue / Authors
2024 J jnl
An open science grid implementation of the steady state genetic algorithm for crystal structure prediction.
J. Comput. Sci.
Kristal N. Varela, Gabriel I. Pagola, Albert M. Lund, Marta B. Ferraro, Anita M. Orendt, Julio C. Facelli
2023 J jnl
On the axial chirality of leucoindigo.
J. Comput. Chem.
Gabriel I. Pagola, Patricio F. Provasi, Marta B. Ferraro, Paolo Lazzeretti
2021 J jnl
Physical achirality in geometrically chiral rotamers of hydrazine and boranylborane molecules.
J. Comput. Chem.
Gabriel I. Pagola, Marta B. Ferraro, Patricio F. Provasi, Stefano Pelloni, Paolo Lazzeretti
2018 J jnl
Calcium interactions with Cx26 hemmichannel: Spatial association between MD simulations biding sites and variant pathogenicity.
Comput. Biol. Chem.
Juan M. R. Albano, Nahuel Mussini, Roxana Toriano, Julio C. Facelli, Marta B. Ferraro, Mónica Pickholz
2018 J jnl
The influence of relativistic effects on nuclear magnetic resonance spin-spin coupling constant polarizabilities of H2O2, H2S2, H2Se2, and H2Te2.
J. Comput. Chem.
Gabriel I. Pagola, Martin A. B. Larsen, Marta B. Ferraro, Stephan P. A. Sauer
2016 J jnl
Computational study of basis set and electron correlation effects on anapole magnetizabilities of chiral molecules.
J. Comput. Chem.
Natalia Zarycz, Patricio F. Provasi, Gabriel I. Pagola, Marta B. Ferraro, Stefano Pelloni, Paolo Lazzeretti
2012 J jnl
Nuclear magnetic resonance J coupling constant polarizabilities of hydrogen peroxide: A basis set and correlation study.
J. Comput. Chem.
Hanna Kjær, Monia R. Nielsen, Gabriel I. Pagola, Marta B. Ferraro, Paolo Lazzeretti, Stephan P. A. Sauer
2009 J jnl
Crystal structure prediction of flexible molecules using parallel genetic algorithms with a standard force field.
J. Comput. Chem.
Seonah Kim, Anita M. Orendt, Marta B. Ferraro, Julio C. Facelli
2009 — conf
Parallel Genetic Algorithms for Crystal Structure Prediction: Successes and Failures in Predicting Bicalutamide Polymorphs.
ICIC (1)
Marta B. Ferraro, Anita M. Orendt, Julio C. Facelli
2007 J jnl
Prediction of structures and related properties of silicon clusters.
J. Comput. Methods Sci. Eng.
Marta B. Ferraro
2005 J jnl
A general framework to understand parallel performance in heterogeneous clusters: analysis of a new adaptive parallel genetic algorithm.
J. Parallel Distributed Comput.
Victor E. Bazterra, Martin Cuma, Marta B. Ferraro, Julio C. Facelli