Parallelization strategies for a reduced dimensionality calculation of quantum reactive scattering cross sections on a hybercube machine. - Ranieri Baraglia; Domenico Laforenza; Antonio Laganà (HPCN Europe, 1995)

Parallel Time Independent Quantum Calculations of Atom Diatom Reactivity. - Antonio Laganà; Stefano Crocchianti; Guillermo Ochoa de Aspuru; Ricardo Gargano; G. A. Parker (PARA, 1995)

Metacomputing to Overcome the Power Limits of a Single Machine. - Ranieri Baraglia; Renato Ferrini; Domenico Laforenza; Antonio Laganà (HPCN Europe, 1997)

Parallel Quantum Scattering Calculations Applied to the Dynamics of Elementary Reactions. - Alessandro Bolloni; Antonio Riganelli; Stefano Crocchianti; Antonio Laganà (PVM/MPI, 1998)

A Model for Parallel One Dimensional Eigenvalues and Eigenfunctions Calculations. - Antonio Laganà; Gaia Grossi; Antonio Riganelli; Gianni Ferraro (PVM/MPI, 1998)

Parallel Approaches to a Numerically Intensive Application Using PVM. - Ranieri Baraglia; Renato Ferrini; Domenico Laforenza; Antonio Laganà (PVM/MPI, 1999)

An optimized task-farm model to integrate reduced dimensionality Schrödinger equations on distributed memory architectures. - Ranieri Baraglia; Renato Ferrini; Domenico Laforenza; Antonio Laganà (Future Gener. Comput. Syst., 1999)

On the Optimization of a Pipeline Model to Integrate a Reduced-Dimensionality Schrödinger Equation for Distributed Memory Architectures. - Ranieri Baraglia; Renato Ferrini; Domenico Laforenza; Antonio Laganà (Int. J. High Perform. Comput. Appl., 1999)

A Web-Based Metacomputing Problem-Solving Environment for Complex Applications. - Ranieri Baraglia; Domenico Laforenza; Antonio Laganà (GRID, 2000)

Parallelism and granularity in time dependent approaches to reactive scattering calculations. - Valentina Piermarini; Antonio Laganà; Gabriel G. Balint-Kurti; Lorna Smith; Robert J. Allan (PDPTA, 2000)

Time Independent 3D Quantum Reactive Scattering on MIMD Parallel Computers. - Alessandro Bolloni; Stefano Crocchianti; Antonio Laganà (PVM/MPI, 2000)

Parallel Models for Reactive Scattering Calculations. - Valentina Piermarini; Leonardo Pacifici; Stefano Crocchianti; Antonio Laganà (HPCN Europe, 2001)

Parallel Methods in Time Dependent Approaches to Reactive Scattering Calculations. - Valentina Piermarini; Leonardo Pacifici; Stefano Crocchianti; Antonio Laganà; Giuseppina D'Agosto; Sergio Tasso (International Conference on Computational Science (1), 2001)

Fine Grain Parallelism for Discrete Variable Approaches to Wavepacket Calculations. - Daniele Bellucci; Sergio Tasso; Antonio Laganà (International Conference on Computational Science (3), 2002)

Towards a GRID Based Portal for an a Priori Molecular Simulation of Chemical Reactivity. - Osvaldo Gervasi; Antonio Laganà; Matteo Lobbiani (International Conference on Computational Science (3), 2002)

Parallel Approaches to the Integration of the Differential Equations for Reactive Scattering. - Valentina Piermarini; Leonardo Pacifici; Stefano Crocchianti; Antonio Laganà (International Conference on Computational Science (3), 2002)

A Molecular Dynamics Study of the Benzene... Ar2 Complexes. - Antonio Riganelli; M. Memelli; Antonio Laganà (International Conference on Computational Science (3), 2002)

Parallel Models for a Discrete Variable Wavepacket Propagation. - Daniele Bellucci; Sergio Tasso; Antonio Laganà (International Conference on Computational Science, 2003)

Initial Value Semiclassical Approaches to Reactive and Non Reactive Transition Probabilities. - Noelia Faginas Lago; Antonio Laganà (International Conference on Computational Science, 2003)

A Multiscale Virtual Reality Approach to Chemical Experiments. - Antonio Riganelli; Osvaldo Gervasi; Antonio Laganà; Margarita Albertí (International Conference on Computational Science, 2003)

Linear Algebra Computation Benchmarks on a Model Grid Platform. - Loriano Storchi; Carlo Manuali; Osvaldo Gervasi; Giuseppe Vitillaro; Antonio Laganà; Francesco Tarantelli (International Conference on Computational Science, 2003)

Bond Order Potentials for a priori Simulations of Polyatomic Reactions. - Ernesto Garcia; Carlos Sánchez; Margarita Albertí; Antonio Laganà (ICCSA (2), 2004)

EoL: A Web-Based Distance Assessment System. - Osvaldo Gervasi; Antonio Laganà (ICCSA (2), 2004)

Virtual Reality Applied to Molecular Sciences. - Osvaldo Gervasi; Antonio Riganelli; Antonio Laganà (ICCSA (2), 2004)

Fine Grain Parallelization of a Discrete Variable Wavepacket Calculation Using ASSIST-CL. - Stefano Gregori; Sergio Tasso; Antonio Laganà (ICCSA (2), 2004)

Towards a Full Dimensional Exact Quantum Calculation of the Li + HF Reactive Cross Section. - Antonio Laganà; Stefano Crocchianti; Valentina Piermarini (ICCSA (2), 2004)

A Time Dependent Study of the Nitrogen Atom Nitrogen Molecule Reaction. - Antonio Laganà; Leonardo Pacifici; Dimitris Skouteris (ICCSA (2), 2004)

Molecular Mechanics and Dynamics Calculations to Bridge Molecular Structure Information and Spectroscopic Measurements on Complexes of Aromatic Compounds. - G. Pietraperzia; R. Chelli; M. Becucci; Antonio Riganelli; Margarita Albertí; Antonio Laganà (ICCSA (2), 2004)

SIMBEX: a portal for the a priori simulation of crossed beam experiments. - Osvaldo Gervasi; Antonio Laganà (Future Gener. Comput. Syst., 2004)

VMSLab-G: a virtual laboratory prototype for molecular science on the Grid. - Osvaldo Gervasi; Antonio Riganelli; Leonardo Pacifici; Antonio Laganà (Future Gener. Comput. Syst., 2004)

Foreword. - Antonio Laganà; Noelia Faginas Lago (Future Gener. Comput. Syst., 2004)

Parallelization strategies for quantum reactive scattering codes. - Antonio Laganà; Leonardo Pacifici; Daniele Bellucci (Future Gener. Comput. Syst., 2004)

A Grid Molecular Simulator for E-Science. - Osvaldo Gervasi; Cristian Dittamo; Antonio Laganà (EGC, 2005)

A Molecular Dynamics Study of Ion Permeability Through Molecular Pores. - Leonardo Arteconi; Antonio Laganà (ICCSA (1), 2005)

Ab Initio and Empirical Atom Bond Formulation of the Interaction of the Dimethylether-Ar System. - Alessandro Costantini; Antonio Laganà; Fernando Pirani; Assimo Maris; Walther Caminati (ICCSA (1), 2005)

Integrating Learning and Assessment Using the Semantic Web. - Osvaldo Gervasi; Riccardo Catanzani; Antonio Riganelli; Antonio Laganà (ICCSA (1), 2005)

ELCHEM: A Metalaboratory to Develop Grid e-Learning Technologies and Services for Chemistry. - Antonio Laganà; Antonio Riganelli; Osvaldo Gervasi; P. Yates; K. Wahala; R. Salzer; E. Varella; Johannes Froehlich (ICCSA (1), 2005)

Thermal Rate Coefficients for the N+N2 Reaction: Quasiclassical, Semiclassical and Quantum Calculations. - Noelia Faginas Lago; Antonio Laganà; Ernesto Garcia; X. Gimenez (ICCSA (1), 2005)

Virtual Chemical Laboratories and Their Management on the Web. - Antonio Riganelli; Osvaldo Gervasi; Antonio Laganà; Johannes Froehlich (ICCSA (1), 2005)

Atom-Bond Additive Potentials for Benzene-Rare Gas Clusters. - Margarita Albertí; Antonio Laganà; Fernando Pirani; Massimiliano Porrini; David Cappelletti (ICCSA (1), 2006)

A Web Based Application to Fit Potential Energy Functionals to ab Initio Values. - Leonardo Arteconi; Antonio Laganà; Leonardo Pacifici (ICCSA (1), 2006)

Parallel Calculation of Propane Bulk Properties. - Alessandro Costantini; Antonio Laganà; Fernando Pirani (ICCSA (1), 2006)

Immersive Molecular Virtual Reality Based on X3D and Web Services. - Osvaldo Gervasi; Sergio Tasso; Antonio Laganà (ICCSA (1), 2006)

On the Structuring of the Computational Chemistry Virtual Organization COMPCHEM. - Antonio Laganà; Antonio Riganelli; Osvaldo Gervasi (ICCSA (1), 2006)

Study of the Passage of an H+ Ion Along a Carbon Nanotube Using Quantum Wavepacket Dynamics. - Dimitris Skouteris; Antonio Laganà (ICCSA (1), 2006)

Computing Molecular Energy Surfaces on a Grid. - Loriano Storchi; Francesco Tarantelli; Antonio Laganà (ICCSA (1), 2006)

FITTING: A Portal to Fit Potential Energy Functionals to ab initio Points. - Leonardo Pacifici; Leonardo Arteconi; Antonio Laganà (International Conference on Computational Science (1), 2007)

An alternative distribution model for the Molecular Dynamics study of liquid Propane on a grid platform. - Alessandro Costantini; Antonio Laganà; Leonardo Pacifici; Osvaldo Gervasi (ICCSA Workshops, 2007)

Quantum vs Semiclassical Dynamics Approaches from highly symmetric to asymmetric reactions. - Noelia Faginas Lago; Antonio Laganà; Fermín Huarte-Larrañaga (ICCSA Workshops, 2007)

A Molecular Dynamics Study of Zirconium Phosphate Membranes. - Massimiliano Porrini; Antonio Laganà (ICCSA (1), 2007)

Small Water Clusters: The Cases of Rare Gas-Water, Alkali Ion-Water and Water Dimer. - Margarita Albertí; Antonio Aguilar; Massimiliano Bartolomei; David Cappelletti; Antonio Laganà; Josep M. Lucas; Fernando Pirani (ICCSA (1), 2008)

Investigation of Propane and Methane Bulk Properties Structure Using Two Different Force Fields. - Alessandro Costantini; Antonio Laganà (ICCSA (1), 2008)

A Comparison of the Isotope Effect for the N + N2 Reaction Calculated on Two Potential Energy Surfaces. - Sergio Rampino; Dimitris Skouteris; Antonio Laganà; Ernesto Garcia (ICCSA (1), 2008)

Grid Computing in Time-Dependent Quantum Reactive Dynamics. - Amaia Saracibar; Carlos Sánchez; Ernesto Garcia; Antonio Laganà; Dimitris Skouteris (ICCSA (1), 2008)

Implementation of the ABC Quantum Mechanical Reactive Scattering Program on the EGEE Grid Platform. - Dimitris Skouteris; Alessandro Costantini; Antonio Laganà; Gergely Sipos; Ákos Balaskó; Péter Kacsuk (ICCSA (1), 2008)

A Grid Implementation of Direct Semiclassical Calculations of Rate Coefficients. - Alessandro Costantini; Noelia Faginas Lago; Antonio Laganà; Fermín Huarte-Larrañaga (ICCSA (2), 2009)

A Grid Implementation of Direct Quantum Calculations of Rate Coefficients. - Alessandro Costantini; Noelia Faginas Lago; Antonio Laganà; Fermín Huarte-Larrañaga (ICCSA (2), 2009)

A Grid Implementation of Chimere: Ozone Production in Central Italy. - Antonio Laganà; Stefano Crocchianti; Alessandro Costantini; Monica Angelucci; Marco Vecchiocattivi (ICCSA (2), 2009)

A program for performing exact quantum dynamics calculations using cylindrical polar coordinates: A nanotube application. - Dimitris Skouteris; Osvaldo Gervasi; Antonio Laganà (Comput. Phys. Commun., 2009)

Porting of GROMACS Package into the Grid Environment: Testing of a New Distribution Strategy. - Alessandro Costantini; Eduardo Gutierrez; Javier López Cacheiro; Aurelio Rodríguez; Osvaldo Gervasi; Antonio Laganà (ICCSA (4), 2010)

Accurate Quantum Dynamics on Grid Platforms: Some Effects of Long Range Interactions on the Reactivity of N + N2. - Sergio Rampino; Ernesto Garcia; Fernando Pirani; Antonio Laganà (ICCSA (4), 2010)

GriF: A Grid framework for a Web Service approach to reactive scattering. - Carlo Manuali; Antonio Laganà; Sergio Rampino (Comput. Phys. Commun., 2010)

COMPCHEM: Progress Towards GEMS a Grid Empowered Molecular Simulator and Beyond. - Antonio Laganà; Alessandro Costantini; Osvaldo Gervasi; Noelia Faginas Lago; Carlo Manuali; Sergio Rampino (J. Grid Comput., 2010)

On the extension of the grid-empowered molecular science simulator: MD and visualisation tools. - Alessandro Costantini; Eduardo Gutierrez; Javier López Cacheiro; Aurelio Rodríguez; Osvaldo Gervasi; Antonio Laganà (Int. J. Web Grid Serv., 2010)

A study of the impact of long range interactions on the reactivity of N + N2 using the Grid Empowered Molecular Simulator GEMS. - Sergio Rampino; Fernando Pirani; Ernesto Garcia; Antonio Laganà (Int. J. Web Grid Serv., 2010)

A Parallel Code for Time Independent Quantum Reactive Scattering on CPU-GPU Platforms. - Ranieri Baraglia; Malko Bravi; Gabriele Capannini; Antonio Laganà; Edoardo Zambonini (ICCSA (3), 2011)

A Fault Tolerant Workflow for CPU Demanding Calculations. - Alessandro Costantini; Osvaldo Gervasi; Antonio Laganà (ICCSA (3), 2011)

An Extension of the Molecular Simulator GEMS to Calculate the Signal of Crossed Beam Experiments. - Antonio Laganà; Nadia Balucani; Stefano Crocchianti; Piergiorgio Casavecchia; Ernesto Garcia; Amaia Saracibar (ICCSA (3), 2011)

A Grid Credit System Empowering Virtual Research Communities Sustainability. - Carlo Manuali; Antonio Laganà (ICCSA (3), 2011)

Time Dependent Quantum Reactive Scattering on GPU. - Leonardo Pacifici; Danilo Nalli; Dimitris Skouteris; Antonio Laganà (ICCSA (3), 2011)

Potential Decomposition in the Multiconfiguration Time-Dependent Hartree Study of the Confined H Atom. - Dimitris Skouteris; Antonio Laganà (ICCSA (3), 2011)

Federation of Distributed and Collaborative Repositories and Its Application on Science Learning Objects. - Sergio Tasso; Simonetta Pallottelli; Riccardo Bastianini; Antonio Laganà (ICCSA (3), 2011)

GriF: A new collaborative framework for a web service approach to grid empowered calculations. - Carlo Manuali; Antonio Laganà (Future Gener. Comput. Syst., 2011)

A Grid Execution Model for Computational Chemistry Applications Using the GC3Pie Framework and the AppPot VM Environment. - Alessandro Costantini; Riccardo Murri; Sergio Maffioletti; Antonio Laganà (ICCSA (1), 2012)

The MPI Structure of Chimere. - Antonio Laganà; Stefano Crocchianti; Giorgio Tentella; Alessandro Costantini (ICCSA (1), 2012)

A Bond-Bond Portable Approach to Intermolecular Interactions: Simulations for N-methylacetamide and Carbon Dioxide Dimers. - Andrea Lombardi; Noelia Faginas Lago; Antonio Laganà; Fernando Pirani; Stefano Falcinelli (ICCSA (1), 2012)

Efficient Workload Distribution Bridging HTC and HPC in Scientific Computing. - Carlo Manuali; Alessandro Costantini; Antonio Laganà; Marco Cecchi; Antonia Ghiselli; Michele Carpenè; Elda Rossi (ICCSA (1), 2012)

Quantum Reactive Scattering Calculations on GPU. - Leonardo Pacifici; Danilo Nalli; Antonio Laganà (ICCSA (1), 2012)

Taxonomy Management in a Federation of Distributed Repositories: A Chemistry Use Case. - Sergio Tasso; Simonetta Pallottelli; Michele Ferroni; Riccardo Bastianini; Antonio Laganà (ICCSA (1), 2012)

Grid Enabled High Level ab initio Electronic Structure Calculations for the N2+N2 Exchange Reaction. - Marco Verdicchio; Leonardo Pacifici; Antonio Laganà (ICCSA (1), 2012)

A full dimensional grid empowered simulation of the CO2 + CO2 processes. - Massimiliano Bartolomei; Fernando Pirani; Antonio Laganà; Andrea Lombardi (J. Comput. Chem., 2012)

An extension of the grid empowered molecular simulator to quantum reactive scattering. - Sergio Rampino; Noelia Faginas Lago; Antonio Laganà; Fermín Huarte-Larrañaga (J. Comput. Chem., 2012)

Implementation of the ANSYS® Commercial Suite on the EGI Grid Platform. - Alessandro Costantini; Diego Michelotto; Marco Bencivenni; Daniele Cesini; Paolo Veronesi; Emidio Giorgio; Luciano Gaido; Antonio Laganà; Alberto Monetti; Mattia Manzolaro; Alberto Andrighetto (ICCSA (1), 2013)

Water (H2O) m or Benzene (C6H6) n Aggregates to Solvate the K + ? - Noelia Faginas Lago; Margarita Albertí; Antonio Laganà; Andrea Lombardi (ICCSA (1), 2013)

Carbon Oxides in Gas Flows and Earth and Planetary Atmospheres: State-to-State Simulations of Energy Transfer and Dissociation Reactions. - Andrea Lombardi; Antonio Laganà; Fernando Pirani; Federico Palazzetti; Noelia Faginas Lago (ICCSA (2), 2013)

Multi Reference versus Coupled Cluster ab Initio Calculations for the N2 + N2 Reaction Channels. - Leonardo Pacifici; Marco Verdicchio; Antonio Laganà (ICCSA (1), 2013)

An Efficient Taxonomy Assistant for a Federation of Science Distributed Repositories: A Chemistry Use Case. - Sergio Tasso; Simonetta Pallottelli; Giovanni Ciavi; Riccardo Bastianini; Antonio Laganà (ICCSA (1), 2013)

Quantum reactive scattering on innovative computing platforms. - Leonardo Pacifici; Danilo Nalli; Antonio Laganà (Comput. Phys. Commun., 2013)

On the Implementation of Three Popular Computational Chemistry Applications Using the EGI Distributed Computing Infrastructure. - Alessandro Costantini; Daniele Cesini; Diego Michelotto; Marco Bencivenni; Vania Boccia; Emidio Giorgio; Antonio Laganà (ICCSA (1), 2014)

A Grid Empowered Virtual Versus Real Experiment for the Barrierless Li + FH → LiF + H Reaction. - Antonio Laganà; Sergio Rampino (ICCSA (1), 2014)

The Molecular Stirrer Catalytic Effect in Methane Ice Formation. - Noelia Faginas Lago; Margarita Albertí; Antonio Laganà; Andrea Lombardi; Leonardo Pacifici; Alessandro Costantini (ICCSA (1), 2014)

Grid Calculation Tools for Massive Applications of Collision Dynamics Simulations: Carbon Dioxide Energy Transfer. - Andrea Lombardi; Noelia Faginas Lago; Antonio Laganà (ICCSA (1), 2014)

Learning Objects Efficient Handling in a Federation of Science Distributed Repositories. - Sergio Tasso; Simonetta Pallottelli; Marina Rui; Antonio Laganà (ICCSA (1), 2014)

The effect of the intermolecular potential formulation on the state-selected energy exchange rate coefficients in N2-N2 collisions. - Alexander Kurnosov; Mario Cacciatore; Antonio Laganà; Fernando Pirani; Massimiliano Bartolomei; Ernesto Garcia (J. Comput. Chem., 2014)

Code interoperability and standard data formats in quantum chemistry and quantum dynamics: The Q5/D5Cost data model. - Elda Rossi; Stefano Evangelisti; Antonio Laganà; Antonio Monari; Sergio Rampino; Marco Verdicchio; Kim K. Baldridge; Gian Luigi Bendazzoli; Stefano Borini; Renzo Cimiraglia; Celestino Angeli; Peter Kallay; et al. (J. Comput. Chem., 2014)

Ion-Water Cluster Molecular Dynamics Using a Semiempirical Intermolecular Potential. - Noelia Faginas Lago; Margarita Albertí; Antonio Laganà; Andrea Lombardi (ICCSA (2), 2015)

A Trial User, Resources and Services Quality Evaluation for Grid Communities Sustainability. - Carlo Manuali; Antonio Laganà (ICCSA (2), 2015)

Exchange of Learning Objects Between a Learning Management System and a Federation of Science Distributed Repositories. - Simonetta Pallottelli; Sergio Tasso; Marina Rui; Antonio Laganà; Ioannis Kozaris (ICCSA (2), 2015)

Simulation of Methane Production from Carbon Dioxide on a Collaborative Research Infrastructure. - Carles Martí; Leonardo Pacifici; Andrea Capriccioli; Antonio Laganà (ICCSA (1), 2016)

Modeling Combustions: The ab initio Treatment of the O( ^3 P) + CH _3 OH Reaction. - Leonardo Pacifici; Francesco Talotta; Nadia Balucani; Noelia Faginas Lago; Antonio Laganà (ICCSA (1), 2016)

Mobile Device Access to Collaborative Distributed Repositories of Chemistry Learning Objects. - Sergio Tasso; Simonetta Pallottelli; Antonio Laganà (ICCSA (1), 2016)

Energy transfer dynamics and kinetics of elementary processes (promoted) by gas-phase CO2-N2 collisions: Selectivity control by the anisotropy of the interaction. - Andrea Lombardi; Fernando Pirani; Antonio Laganà; Massimiliano Bartolomei (J. Comput. Chem., 2016)

Open Molecular Science for the Open Science Cloud. - Antonio Laganà; Gábor Terstyánszky; Jens Krüger 002 (ICCSA (3), 2017)

Automated Simulation of Gas-Phase Reactions on Distributed and Cloud Computing Infrastructures. - Sergio Rampino; Loriano Storchi; Antonio Laganà (ICCSA (3), 2017)

A Circular Economy Proposal on CO _2 Reuse to Produce Methane Using Energy from Renewable Sources. - Antonio Laganà; Lorenzo di Giorgio (ICCSA (5), 2018)

The ECTN Virtual Education Community Prosumer Model for Promoting and Assessing Chemical Knowledge. - Antonio Laganà; Osvaldo Gervasi; Sergio Tasso; Damiano Perri; Francesco Franciosa (ICCSA (5), 2018)

Sharing Learning Objects Between Learning Platforms and Repositories. - Sergio Tasso; Simonetta Pallottelli; Osvaldo Gervasi; Marina Rui; Antonio Laganà (ICCSA (4), 2018)

Cloud and Local Servers for a Federation of Molecular Science Learning Object Repositories. - Sergio Tasso; Simonetta Pallottelli; Osvaldo Gervasi; Federico Sabbatini; Valentina Franzoni; Antonio Laganà (ICCSA (6), 2019)

Free-Methane - from the Ionosphere of Mars Towards a Prototype Methanation Reactor: A Project Producing Fuels via Plasma Assisted Carbon Dioxide Hydrogenation. - Stefano Falcinelli; Marzio Rosi; Marco Parriani; Antonio Laganà (ICCSA (5), 2021)