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Phynite Lab

Task guides and reference for structure preparation, scientific calculations, and publication figures.

31 topicsQuantum ESPRESSO · Figure Lab · Personal compute

Follow a complete research workflow

Each stage preserves a different part of the study. Open a stage for its procedure and scientific checks.

  1. Project
  2. Structure
  3. Calculation
  4. Results
  5. Publication

Getting started

From structure to a paper figureTutorial: a first silicon calculationTutorial: a first local MD simulationProjects, structures, and calculation records

Structure & physics

Import and inspect a structureEdit atoms and cell geometryPeriodic directions, vacuum, and dimensionalityProcedure: prepare a two-dimensional slab

Calculations

Choose and connect calculationsConfigure and validate Quantum ESPRESSOProcedure: design a convergence studyExecution, resources, and cancellation

Results & Figure Lab

Open and interpret calculation resultsCompose a figureEnergy, k-path, DOS, and fair comparisonWorkflows for material and parameter studiesTemplates, replacement, history, and archivesPDOS, unfolding, and insetsExport and preserve a reproducible figureProcedure: prepare a publication figure

Account & compute

Autosave, storage, and multiple devicesProfile, usage, and subscriptionsManage plans, billing, and resource usageConnect your computer with Phynite ComputeLanguage, region, and accessibility

Reference

Keyboard and pointer shortcutsReference: calculation fields and unitsTroubleshooting and recoveryTroubleshooting: locate a failed workflow stageAvailability and planned workflowsUnits, terms, and scientific references