01Preview
Literature intelligence
Research Literature Pipeline
A publisher-aware workflow for discovering research, collecting authorised full-text and SI files, and preparing paired, traceable source corpora.
一合 · AEQUO / RESEARCH TECHNOLOGY
Tools for research.
Computation for discovery.
Scientific AI products and advanced computational research for chemistry, materials, and environmental science.
BUILT AROUND
ATOMISTIC MODELLING / 01
STRUCTURE · DYNAMICS · ENERGY
AEQ—001
RESEARCH
IN MOTION
IN MOTION
INDEPENDENT RESEARCH TECHNOLOGYSCIENTIFIC SOFTWARE · COMPUTATIONAL MODELLING · AI WORKFLOWS
A more connected way to do scientific work.
Aequo brings together purpose-built research tools, structured scientific workflows, and atomistic modelling to help researchers move from complex data to clearer scientific insight.
01SCIENTIFIC AI PRODUCTS
Research tools, engineered for real work.
Agent Skills, scientific software, and integrated workflows designed around the practical demands of research.
02Preview
Research data intelligence
Scientific Result Extraction
An evidence-centred agent workflow for finding, extracting, reconciling, and documenting quantitative results reported in papers and supplementary information.
03Open-source
Scientific software
Scientific Computing Toolkit
A modular Python toolkit for chemistry, electrochemistry, spectroscopy, molecular simulation utilities, and publication-oriented visualisation.
04In development
Research automation
Manuscript Project Workflow
A governed, iterative research workspace for evidence-linked manuscript development, scoped revisions, data provenance, and journal compliance.
Explore the Aequo product collectionView all products →
02COMPUTATIONAL RESEARCH SERVICES
From atomic models to research insight.
Method-driven computational support for research questions that benefit from atomistic simulation, data-driven modelling, and mechanistic analysis.
01
DFT & electronic structure
↗First-Principles Calculations
Atomistic modelling to examine structures, energetics, charge distribution, adsorption, and reaction pathways.
02
AIMD & enhanced sampling
↗Ab Initio Molecular Dynamics
Finite-temperature atomistic simulations for dynamic interfaces, solvation environments, and activated processes.
03
MLIP & atomistic machine learning
↗Machine-Learning Interatomic Potentials
Machine-learning potentials and data workflows for extending atomistic simulation towards larger systems and longer timescales.
04
Data-driven materials research
↗Materials Machine Learning
Structured scientific data and machine-learning workflows for screening, property modelling, and hypothesis generation.
COMPUTATIONAL WORKFLOWAEQUO / 02
03METHODS & TECHNOLOGY
Built on scientific methods.
Designed for reproducibility.
Useful research automation is more than a prompt. It requires well-defined inputs, deterministic processing, traceable evidence, explicit review points, and outputs that researchers can inspect and reuse.
01 Evidence-aware data workflows
02 First-principles and molecular simulation
03 Machine-learning research pipelines
04RESEARCH DOMAINS
Focused on complex
chemical systems.
01Electrochemical interfacesIon solvation · Interphases · Aqueous batteries
02Reaction and surface chemistryCatalysis · Adsorption · Energy landscapes
03Environmental chemistryTransformation pathways · Interface processes
04Materials informaticsData extraction · ML models · Screening
LET'S WORK ON WHAT'S NEXT
Have a research challenge
worth solving?
Explore a research tool, discuss a computational project, or enquire about a workflow for your group.