top of page
Quemix Logo
Image by NASA

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.

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.

2023-11-01

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