15th USERS CONFERENCE

Welcome.

José I Doncel, Ministerio Ciencia e Innovación

Sergi Girona, Barcelona Supercomputing Center (BSC-CNS)

José Luis González, Cénits-COMPUTAEX

RES Presentation & updates. Sergi Girona, Barcelona Supercomputing Center (BSC-CNS)

Keynote lecture:The European Genome-phenome Archive. Why and how we keep human genomic data safe and visible at the same time. Teresa d'Altri, European Genome-Phenome Archive, Center for Genomic Regulation (CRG)

RES Outstanding Paper Award 2020. The Quest for Room-Temperature Superconductivity Guided by First-Principles Calculations. Ion Errea, Materials Physics Center,  Euskal Herriko Unibertsitatea (EHU)

 16:40h ANUNCIO de la candidatura premiada en la 3^a edición del RES Outstanding Paper Award 2021

RES Users Commitee (CURES): presentation and activity report. Miguel A. Aloy, Universidad de Valencia

Sponsor Talk: Leading the new era of HPC. Simón Viñals Larruga, Business Development Manager Spain & Portugal, AMD

 BREAK

 Structural analysis by cryo EM of SARS Cov-2 spike. Laura del Caño, J. Mª Carazo, CNB-CSIC

QM/MM computational studies of the main protease of SARS-CoV-2: towards the design of new inhibitors. Vincent Moliner, Universitat Jaume I (UJI), Castellón

Impact of the COVID-19 lockdowns upon air pollution at the European level. Oriol Jorba, Barcelona Supercomputing Center (BSC-CNS)

Early perturbation of the Ab42 conformational landscape by novel curcumin azobioisosteres, Tiziana Ginex, CIB-CSIC

Revealing the key factors of direct activation mechanism of AMPK based on isoform dependent complex. Carolina Estarellas, Universidad de Barcelona

Three-dimensional models of magnetorotational core-collapse supernovae, Martin C Obergaulinger, Universitat de Valencia (UV)

Sponsor Talk. DNN workload on large scale parallel environment. Kohta Nakashima, Senior Director of Fujitsu ICT Labs

Technical keynote: Quantum Computation from zeto. Josep Ignasi Latorre, Universitat de Barcelona (UB)

The noisy intermediate-scale quantum computing era. Alba Cervera Lierta, University of Toronto

Investigating the practical complexity of quantum computations, Juanjo García-Ripoll, Consejo Superior de Investigaciones Científicas (CSIC)

HPC simulations of hybrid quantum algorithms. Artur Garcia, Barcelona Supercomputing Center, BSC-CNS

Sponsor Talk: The Road to Exascale. Adriano Galano, Head of HPC and Artificial Intelligence for Southern Europe, Hewlett Packard Enterprise (HPE)

SNACK BREAK - CATERING EN CASA/OFICINA

Sponsor Talk: When portability and reproducibility also meets performance. Jordi Blasco, CTO, HPCNow!

Numerical modeling of double-polarity subduction, Mireia Peral Millán, Group of Dynamics of the Lithosphere, Geociències Barcelona (Geo3Bcn-CSIC), Barcelona, Spain.

Database generation for 2.5D borehole resistivity measurements using refined isogeometric analysis. Ali Hashemian, BCAM – Basque Center for Applied Mathematics, Bilbao

Study of how the eccentricity factor of elliptical nozzle affects the primary atomization using Direct Numerical Simulation, Lucas A. González Montero, Universitat Politècnica de València (UPV)

Simulations of defects and nucleobases adsorption in 2D materials by DFT-based calculations. Blanca Biel, Universidad de Granada (UGR)

Magnetism, topology and optics of novel 2D materials. Alejandro Molina Sánchez, Universidad de Valencia (UV)

Homogeneous nucleation of NaCl in supersaturated solutions. Cintia Pulido, Universidad Complutense de Madrid (UCM)

The role of light on the contemporary composition of the genetic material: are other alternative building blocks viable? Inés Corral, Universidad Autónoma de Madrid (UAM)

In silico study of Li6PS5Cl Argyrodite electrolyte degradation at contact with bare and coated metallic Li anode. Andrey Golov, CIC Energigune

Predicting the structure and oxidation state of complex materials under reaction conditions. Jon Quinlivan, Albert Bruix, Institut de Química Teòrica i Computacional (IQTCUB), Universitat de Barcelona

Bats as bioindicators in the North-East Iberian Peninsula (Catalonia). Adrià López Baucells, Museu de Granollers

Sponsor Talk: How metrics make the difference in HPC system design. Solal Amouyal, HPC Group Manager, HUAWEI Tel-Aviv Research Center, Israel

Closing Ceremony.

José I. Doncel, Ministerio Ciencia e Innovación

Sergi Girona, Barcelona Supercomputing Center (BSC-CNS)

José Luis González, Cénits-COMPUTAEX