A cloud-based materials computation platform that integrates Modeling/Simulation/Analysis and UI into one
Infinite number of materials by combining elements.
Quloud creates higher-performance materials yet to be discovered and enables the development of new materials.
Powered by RSDFT, OpenMX, PIMD, Quantum ESPRESSO, and LAMMPS enable a wide range of materials computation.
High-precision, large-scale calculations with a user-friendly interface are provided.
Virtual Materials Creation Platform
Large-scale materials calculation software and Superior UI in the Cloud for Everyone
Infinite number of materials by combining elements.
Quloud -RSDFT creates higher-performance materials yet to be discovered and enables the development of new materials.
The world award-winning advanced materials calculation software RSDFT is provided with an unparalleled interface.
2023-11-01
[New!] Quloud Ver 3.0 is released, powered by PIMD, Quantum ESPRESSO, LAMMPS, in addition to RSDFT and OpenMX.
2023-07-03
We will add a calculation engine to Quloud-RSDFT (Quloud-Mag, OpenMX)
The product name will be changed to "Quloud"
Since the trial version is also continuing
Please feel free to contact us.
2022-06-01
Quloud-RSDFT released
Trial version*(free) and Official version publish
*With 2,000 yen 100,000 yen worth of points for a limited time
Please feel free to contact us first
NEWS
Latest News
New cloud-based comprehensive materials computation platform is born.
Quloud
Quloud Version 3.0 enables large-scale material calculations to be performed accurately, quickly, cost-effectively, and simply.
It provides the following features:
Super-cell, cell shape modification
Atomic substitution, addition, and deletion
Surface and slab models
Interface Models
Molecular addition
Molecular Filling
【Modeling】
You can see a list of jobs that are in progress or waiting for calculation in "Job management" on the side menu. You can also create a new job by clicking the "Create new job" button. Job creation is just creation, and in order to actually submit to AWS and execute calculations, you need to press the "Execute" button in the job list.
The original RSDFT input file
rsdft.in (calculation parameter file)
rsdft.atom (atomic structure CIF file)
You can create jobs by preparing them under the name and uploading them.
As an AWS resource that performs computation
EC2 (many CPU cores available)
FARGATE (few cores, fast startup)
can be selected.
Each job can also be grouped and tagged for easy searching.
create a job
create a project
In "Project Management", you can see the list of projects. Projects are intended to be used as a starting point for creating other projects, as well as grouping together jobs with specific materials and calculation settings to aggregate information. For example, in a bulk crystal calculation project, we determine the grid accuracy required, optimize lattice constants and internal coordinates, and use the results to perform point defect supercell models and surface slab model calculation projects. used to create. Alternatively, carry out a project that optimizes the atomic structure with relatively light computational GGA-level theoretical accuracy, and take over that, only calculating total energy and electronic state, high-cost high-accuracy hybrid functional level project It is also possible to have a scenario where you run
Add users to groups
You can invite new members to your group at any time. Register the email address of the member you want to invite from "Invitation Management" on the side menu. However, the invitation email will be sent after the group owner has "approved the invitation".
At the time of initial registration, the maximum number of members per group is 5, but it is possible to increase the maximum number of members at any time by receiving additional applications.
Easily create supercell models of vacancies and substitutions from bulk crystal structures
01
Interactive graphs displaying calculation results to support analysis
02
Created inputs and calculation results can be easily shared within the group
03
EASINESS
Elegant UI/UX
Calculation
FUNCTIONS
Total Energy
Electronic State SCF Calculations
Structure Optimization Calculations
Lattice parameter optimization calculations
Chemical reaction barrier calculations
First-principles molecular dynamics calculations
Electronic band structure calculation
Density of electronic states calculation
Atomic structure visualization
Bulk crystal and point defect modeling
Band Structure Visualization
Density of states visualization
Surface slab modeling
Hydrogen Termination
Atomic constraints
Initial spin configuration
Wavefunction and electron density*¹ visualization
Brillouin Zone*² visualization
Molecular dynamics animation
Uniform electric field*³ application
Charge state correction
Cohesive energy calculation
Formation energy calculation
Equilibrium state diagram calculation
Classical Molecular Dynamics Calculations
radial distribution function
diffusion coefficient
Crystal Structure Database Linkage
Molecular Structure Database Linkage
Interface Structure Modeling
cell shape transformation
Molecular addition
Molecular Filling
Machine Learning MD
Self-learning hybrid Monte Carlo
*¹ Volume data / *² Sample k-points and band paths / *³ saw-tooth type