II.
LibraryProcess overview
Reference · livelib-process:quantum-computing--molecular-ground-state-energy
molecular-ground-state-energy overview
Calculate molecular ground state energies using quantum algorithms (VQE, QPE) for chemistry applications including drug discovery and materials design.
Attributes
displayName
molecular-ground-state-energy
description
Calculate molecular ground state energies using quantum algorithms (VQE, QPE)
for chemistry applications including drug discovery and materials design.
libraryPath
library/specializations/domains/science/quantum-computing/molecular-ground-state-energy.js
specialization
quantum-computing
example
const result = await orchestrate('molecular-ground-state-energy', {
molecule: { atoms: ['H', 'H'], coordinates: [[0,0,0], [0,0,0.74]] },
basis: 'sto-3g',
algorithm: 'VQE'
});
usesAgents
- quantum-chemist
Outgoing edges
lib_applies_to_domain1
- domain:quantum-computing·DomainQuantum Computing
lib_belongs_to_specialization1
- specialization:quantum-computing·SpecializationQuantum Computing
lib_implements_workflow1
- workflow:experiment-design·WorkflowExperiment Design
lib_involves_role1
- role:research-engineer·RoleResearch Engineer
lib_requires_skill_area3
- skill-area:mathematical-reasoning·SkillAreaMathematical Reasoning
- skill-area:compiler-implementation·SkillAreaCompiler & Interpreter Implementation
- skill-area:language-design·SkillAreaProgramming Language Design
uses_agent1
- lib-agent:quantum-computing--quantum-chemist·LibraryAgentquantum-chemist
Incoming edges
None.