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Displaying 32 authors out of 32
A. BABY (U. of Milano-Bicocca)
Adsorption of Organic Molecules on Metals: A Computational Materials Science Approach
A. KOZHEVNIKOV (CSCS-Swiss National Supercomputing Centre)
GPU Acceleration of Plane-wave Codes Using SIRIUS Library
B. KOZINSKY (Harvard School of Engineering and Applied Sciences)
New Energy Materials from Data-driven Computations of Transport Properties
New HPC Architectures Landscape and Impact on Code Developments: the View of MaX
D. PLEITER (Jülich Supercomputing Centre)
Fenix: Realising a New Paradigm for Collaborative Supercomputing Research Infrastructures
D. PREZZI (U. of Modena and Reggio Emilia, and Institute of Nanoscience of CNR Modena, Italy)
Light Emission from Ultranarrow Graphene Nanoribbons: Edge and Termini Effects
D. SANGALLI (CNR-ISM)
Pump and Probe Experiments from First Principles
Symmetry Matters: Learning Scalars and Tensors in Materials and Molecules
G. HAUTIER (UCLouvain)
Finding the Needle in the Haystack: Materials Discovery through High-throughput Ab Initio Computing and Data mining
I. CARNIMEO (U. of Udine and SISSA)
Hartree-Fock Exchange with Localized Orbitals for Fast and Efficient Calculations with the Quantum ESPRESSO Code
J. CARRASQUILLA (Perimeter Institute for Theoretical Physics)
A Machine Learning Perspective on the Many-body Problem in Classical and Quantum Physics
J. HUTTER (U. of Zurich)
MP2, RPA and GW within the Gaussian and Plane Waves Method
K. JACOBSEN (Technical U. of Denmark)
Computational Screening of Solar Energy Materials
L. BENINI (U. of Bologna)
Scaling Performance in Power-limited HPC Systems
L. BROCHARD (Lenovo HPC)
Co-designing Energy Efficient Systems
Predicting the Color of Natural Dyes Using Quantum Mechanics, Statistical Physics, and High-performance Computing
L. LIN (U. of California, Berkeley)
Variational Formulation for finding Wannier Functions with Entangled Band Structure
Materials Cloud, a Platform for Open Materials Science
M. FATICA (NVIDIA)
Quantum Espresso on GPU Accelerated Systems
M. FERNANDEZ-SERRA (Stony Brook U.)
Understanding Water/Solid Functional Interfaces for Photocatalysis and Electrochemical Applications
M.C. RIGHI (U. of Modena and Reggio Emilia, and Institute of Nanoscience of CNR Modena, Italy)
Ab initio study of lubricant materials
Two-dimensional Materials from High-throughput Computational Exfoliation of Experimentally Known Compounds
P. BONFA' (CINECA)
Performance Prediction for Quantum ESPRESSO
P. ORDEJON (Catalan Institute of Nanoscience and Nanotechnology)
On the Enhanced Thermal Transport Properties of Graphene Nanofluids
R. CAR (Princeton U.)
Deep Neural Networks and Molecular Dynamics
S. BARONI (SISSA)
Ab-initio Green-Kubo Simulation of Thermal Transport in Liquids and Glasses: A Challenge to Theoretical Physics and to HPCTechnology
S. BLÜGEL (Forschungszentrum Jülich and RWTH Aachen U.)
Spin-orbit Interaction — A path to Topological Matter in Real and Moment Space
S. MOHR (Barcelona Supercomputing Center)
Efficient Computation of Sparse Matrix Functions for Large-Scale Electronic Structure Calculations: The CheSS Library
S. SANVITO (Trinity College, Dublin)
High-throughput Electronic Structure Theory: Are All Calculations Useful?
T. DEUTSCH (CEA Grenoble)
Adaptive and Localized Basis Functions for Linear Scaling, Large Systems and Complex QM Simulations
T. STERLING (CREST, Indiana University)
Stagnation at Moore’s Nano-scale Barrier and an HPC Architecture Reboot
Z. ZANOLLI (RWTH Aachen U. and ETSF)
Spintronics at the Interface

Organizers

Stefano Baroni (SISSA), Elisa Molinari (CNR-NANO), Sandro Scandolo (ICTP), Local Organisers: Ralph Gebauer, Ivan Girotto

Co-sponsors