The Allocation Commission stated that applications were of a very good scientific and technical standard, and distributed a total of 55.555.000 corehours. The difference over allocated capacity comes from the IT4Innovations headquarters reserves and Anselm resources.
Requests with allocations over 300.000 corehours were assessed by two independent evaluators, which affected 32 out of 50 project applications. The Commission based its decision on the following evaluation criteria: scientific excellence, technical readiness and social utility. Another very important factor was the results of previous applications from users who have used the IT4Innovations supercomputing services in the past. The evaluation criteria included the number of former applications, the number of registered publications (https://extranet.it4i.cz/portal/feedbacks/publications ) supported by our infrastructure within previous applications, and the efficiency of previous use of computational resources (see user obligations ). Main Investigator: Klára Kalousová
Project: Transfer of heat and liquids through the high-pressure ice layer of Titan and Ganymede
Allocation: 150.000 core hours

 

Main Investigator: Michael Komm
Project: Particle-in-cell simulations of heat flux distribution at plasma-facing components in support with experiments at WEST tokamak
Allocation: 300.000 core hours

 

Main Investigator: Cyril Van de Steen
Project: Molecular Dynamics, Rg2+/Rg collision
Allocation: 559.000 core hours

 

Main Investigator: František Gallovič
Project: Dynamic source inversion of the 2016 Amatrice earthquakes
Allocation: 150.000 core hours

 

Main Investigator: Rafael Doležal
Project: Computational research of superoxide dismutase 1 and its modulators by CADD approaches to reveal potential drug candidates for amyotrophic lateral sclerosis treatment
Allocation: 1.269.000 core hours

 

Main Investigator: Rudolf Jalovecký
Project: Human Factor
Allocation: 5.000 core hours

 

Main Investigator: Jan Pšikal
Project: Multidimensional simulations of laser-driven proton acceleration from cryogenic thin solid-hydrogen foils
Allocation: 818.000 core hours

 

Main Investigator: Marek Lampart
Project: Double-pendulum with side bands
Allocation: 50.000 core hours

 

Main Investigator: Martina Žáková
Project: Multidimensional simulations of advanced target designs with the aim of improving parameters of laser-accelerated particle beams
Allocation: 567.000 core hours

 

Main Investigator: Petr Strakoš
Project: Visualization of real motion of human body with utilization of motion capture technology
Allocation: 30.000 core hours

 

Main Investigator: Jiří Klimeš
Project: Accurate adsorption energies
Allocation: 1.362.000 core hours

 

Main Investigator: Ondřej Souček
Project: Tidally induced deformation of planetary ice shells – effect of presence of fissures and of variable shell thickness II
Allocation: 200.000 core hours

 

Main Investigator: Jakub Velímský
Project: Ocean flows and their magnetic signatures on regional scales
Allocation: 200.000 core hours

 

Main Investigator: Mauricio Maldonado
Project: Redox properties of metalloenzymes and biomimetic catalysts
Allocation: 1.000.000 core hours

 

Main Investigator: Tomáš Brzobohatý
Project: ESPRESO FEM – Heat Transfer Module
Allocation: 2.425.000 core hours

 

Main Investigator: Daniel Bonhenry
Project: Investigation of Ca2+ permeation in the Orai1 channel
Allocation: 366.000 core hours

 

Main Investigator: Michal Podhorányi
Project: PaReTran
Allocation: 200.000 core hours

 

Main Investigator: Vladimír Fuka
Project: LES of turbulent structures over rough surfaces
Allocation: 300.000 core hours

 

Main Investigator: Jan Drchal
Project: Fully Data-Driven Scheduler for Activity-Based Models
Allocation: 75.000 core hours

 

Main Investigator: Marie Běhounková
Project: Convection in the mantle of Europa
Allocation: 100.000 core hours

 

Main Investigator: Mojmír Šob
Project: Thermodynamic stability and elastic properties of Fe-Al-based superalloys
Allocation: 5.187.000 core hours

 

Main Investigator: Lumír Kojecký
Project: Similarity Between Parallel Bio-Inspired Algorithms and Swarm based systems
Allocation: 646.000 core hours

 

Main Investigator: Lubomír Rulíšek
Project: Quantum Chemical Fundamentals of Protein Folding: Exploring Conformational Space of Short Peptides by Advanced Quantum Chemical and Solvation Methods
Allocation: 3.155.000 core hours

 

Main Investigator: Marek Čapek
Project: Simulation of clotting coupled with blood flow
Allocation: 356.000 core hours

 

Main Investigator: Jana Jablonská
Project: Research in the area of modeling of flow cavitation
Allocation: 250.000 core hours

 

Main Investigator: Pavel Jungwirth
Project: Effects of neurotransmitters on the insulin T to R conformational transformation
Allocation: 2.334.000 core hours

 

Main Investigator: Stanislav Paláček
Project: Dynamics – MULTIDYN 3.0
Allocation: 657.000 core hours

 

Main Investigator: Ondrej Gutten
Project: Database of metal-ligand complexes as models for metal-protein interactions
Allocation: 1.730.000 core hours

 

Main Investigator: Pavel Plevka
Project: Structural studies of human and animal viruses with economic impact
Allocation: 780.000 core hours

 

Main Investigator: Yanjun Gu
Project: The effects of external magnetic fields in Inertial Confinement Fusion
Allocation: 1.070.000 core hours

 

Main Investigator: Jiří Jaroš
Project: Experimental validation of computational models of ultrasound propagation in biologically relevant heterogeneous media under nonlinear conditions.
Allocation: 2.678.000 core hours

 

Main Investigator: Aleš Prachař
Project: AGUST
Allocation: 250.000 core hours

 

Main Investigator: Martin Zelený
Project: Computer modeling of martensitic transformations in Ni-Mn-Ga system
Allocation: 1.468.000 core hours

 

Main Investigator: Pavel Hobza
Project: IN SILICO DRUG DESIGN
Allocation: 7.425.000 core hours

 

Main Investigator: Martin Mrovec
Project: Tensor-methods based electronic structure calculations
Allocation: 300.000 core hours

 

Main Investigator: Jan Heyda
Project: From single chain collapse to phase separation
Allocation: 1.080.000 core hours

 

Main Investigator: Lukáš Vojáček
Project: Scalability of Parallel Artificial Neural Networks VI
Allocation: 122.000 core hours

 

Main Investigator: Radek Marek
Project: Calculation of Binding Affinities of Macromolecular Drug Carriers
Allocation: 370.000 core hours

 

Main Investigator: Jakub Husa
Project: Design of Cryptographically Sound Boolean Functions Using Linear Genetic Programming
Allocation: 50.000 core hours

 

Main Investigator: Stanislav Kozmon
Project: Study of the substrate modifications influence on enzyme reaction mechanism by QM/MM calculations.
Allocation: 1.153.000 core hours

 

Main Investigator: Paolo Toccaceli
Project: Conformal and Probabilistic Prediction At Scale
Allocation: 215.000 core hours

 

Main Investigator: Jana Pavlíková Přecechtělová
Project: Combining molecular dynamics with fragmentation techniques to calculate NMR chemical shifts in intrinsically disordered proteins
Allocation: 300.000 core hours

 

Main Investigator: Martin Hanek
Project: Multilevel Domain Decomposition Solvers for Incompressible Flows
Allocation: 300.000 core hours

 

Main Investigator: Dominik Legut
Project: Calculations of electron density and electric quadrupole tensors in novel superconductors
Allocation: 11.069.000 core hours

 

Main Investigator: Jaroslav Hron
Project: Patient specific geometry flow simulation
Allocation: 300.000 core hours

 

Main Investigator: Jakub Husa
Project: Exploration of Various Crossover Operators in Cartesian Genetic Programming
Allocation: 15.000 core hours

 

Main Investigator: Aleš Vítek
Project: Classical and quantum Monte Carlo simulations
Allocation: 330.000 core hours

 

Main Investigator: Petr Slavíček
Project: Real-time electron and nuclear dynamics of ionized hydrogen bonded systems
Allocation: 713.000 core hours

 

Main Investigator: František Karlický
Project: Electronic and optical properties of low-dimensional semiconductors and insulators
Allocation: 696.000 core hours

 

Main Investigator: Miroslav Urbánek
Project: Many-body localization in two-dimensional optical lattices
Allocation: 430.000 core hours

 

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