Vol. 19 (2019)

Research and Development

• EUCO-CTC 2019 General Theory Issues

  Péter G. Szalay

  VIRT&L-COMM.19.2019.1

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• EUCO-CTC 2019 Clifford Boundary Conditions for Periodic Systems

  Estefania Alves Alves, Stefano Evangelisti, Gian Luigi Bendazzoli, Arjan Berger

  VIRT&L-COMM.19.2019.2

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• EUCO-CTC 2019 First-principles-based kinetic Monte Carlo simulations in heterogeneous catalysis: Application to water-gas shift reaction with several catalysts

  Ramón Sayós, Hèctor Prats, Sergio Posada-Pérez, José A. Rodriguez, Francesc Illas

  VIRT&L-COMM.19.2019.3

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• EUCO-CTC 2019 BETHE–SALPETER CORRELATION ENERGIES OF ATOMS AND MOLECULES

  Wim Klopper

  VIRT&L-COMM.19.2019.4

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• EUCO-CTC 2019 Computational Chemistry and Artificial Intelligence

  Gabriele Cruciani

  VIRT&L-COMM.19.2019.5

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• EUCO-CTC 2019 FULLY ATOMISTIC EMBEDDING APPROACHES FOR THE COMPUTATIONAL SPECTROSCOPY OF COMPLEX SYSTEMS: STATUS AND PERSPECTIVES

  Chiara Cappelli

  VIRT&L-COMM.19.2019.6

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• EUCO-CTC 2019 Advancing the Computational Molecular Sciences through Better Theory and Better Software

  Daniel G. A. Smith

  VIRT&L-COMM.19.2019.7

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• EUCO-CTC 2019 Scalable polarizable molecular dynamics using Tinker-HP

  Jean-Philip Piquemal

  VIRT&L-COMM.19.2019.8

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• EUCO-CTC 2019 European Open Science Cloud and the EOSC-Pillar Project

  Federico Ruggieri, Fulvio Galeazzi, Federica Tanlongo

  VIRT&L-COMM.19.2019.9

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• EUCO-CTC 2019 Dynamic and Chemical Disorder in Enzymatic Reaction Mechanisms

  Pedro Alexandrino Fernandes

  VIRT&L-COMM.19.2019.10

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• OMSC 2019 The EuChemS Computational and Theoretical Chemistry Division Conference and the Open Molecular Science Cloud Workshop

  Antonio Laganà

  VIRT&L-COMM.19.2019.11

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• OMSC 2019 Open Molecular Science Cloud Educational Tools for Chemistry: LibreEOL and G-Lorep Training and Coaching Event

  Osvaldo Gervasi, Sergio Tasso, Antonio Laganà

  VIRT&L-COMM.19.2019.12

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• OMSC 2019 Open Learning and Innovative Didactics of Chemistry in EChemTest®

  Osvaldo Gervasi, Antonio Laganà, Sara Tortorella

  VIRT&L-COMM.19.2019.13

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• OMSC 2019 Open Molecular Science Cloud Photovoltaic training Demo on VHerla

  Giuseppe Vitillaro, Edoardo Mosconi

  VIRT&L-COMM.19.2019.14

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• OMSC 2019 THE MOLECULAR SIMULATOR ENABLED CLOUD SERVICES: MOSEX

  Antonio Laganà, Giuseppe Vitillaro, Ernesto Garcia

  VIRT&L-COMM.19.2019.15

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• OMSC 2019 Cloud Services for Reaction Modeling

  Edward Blurock

  VIRT&L-COMM.19.2019.16

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• OMSC 2019 ioChem-BD: Tools for Open-Access Publishing and Much More...

  Moises Álvarez-Moreno, Carles Bo

  VIRT&L-COMM.19.2019.17

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• OMSC 2019 Possible applications for the Open Molecular Science Cloud: AMBER simulations and development of highly accurate many-body potentials

  Vinícius Wilian D. Cruzeiro

  VIRT&L-COMM.19.2019.18

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• OMSC 2019 Cloud Computing ideas on European Open Science Cloud (EOSC)

  Grier M. Jones

  VIRT&L-COMM.19.2019.19

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• OMSC 2019 Data Driven Parameterization of Force Fields

  Jessica Maat

  VIRT&L-COMM.19.2019.20

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• OMSC 2019 Nonadiabatic Dynamics Study of the B850-B800 Complex in LH2 using TeraChem Cloud

  S. Seritan, T.J. Martinez

  VIRT&L-COMM.19.2019.21

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