Electrochemistry · AI Atomic Simulation

Foundation Platform for
AI Atomic Simulation in Electrochemistry

High‑precision atomic simulation, material design, and drug discovery for batteries, biosensors, energy materials, electrocatalysts, and semiconductors.

Building the next‑generation AlphaFold for electrochemistry
10+Top institutions & enterprises
5‑10 daysIndustry‑leading delivery
>300%Quarterly revenue growth
Batteries
Biosensors
Electrocatalysis
Energy Materials
Semiconductors
Drug Discovery
Peking University Fudan University Zhejiang University Beihang University State Grid PetroChina Zhongshan Hospital

Proven Impact

Our customers achieve faster R&D cycles and higher accuracy with our AI‑driven atomic simulation platform.

5‑10 days
Delivery time vs. 6‑12 months industry average
10+
Leading universities and enterprises
>300%
Quarterly growth in customer adoption

Our Solutions

From custom pipelines to a unified foundation model – we cover the entire electrochemistry simulation spectrum.

Custom AI Pipelines

Rapidly build end‑to‑end pipelines from material characterization to electrochemical interface simulation. Delivery in 5‑10 days.

Core Service

Collaborative R&D

Joint development with shared IP and publication benefits. Lower your risk while accelerating breakthrough discoveries.

Strategic Partnership

SaaS Compute Subscription

On‑demand access to atomic simulation models and computing power. Scalable, high‑recurrence for academia and startups.

Future‑ready

Core Technical Advantages

Equivariant graph neural networks and electrochemistry‑specific algorithms deliver accurate predictions under real‑world conditions.

  • SE(3) Equivariant GNN

    Based on our open‑source SOTA model (NeurIPS 2026 in process) with electrochemistry‑specific feature weighting.

  • Electrochemical Interface Algorithms

    Specialized ML algorithms for batteries, biosensors, and electrocatalysts – patent‑pending.

  • AI Agent‑Driven Automation

    Seamless integration of sales and technical teams via AI agents to continuously reduce cost and increase efficiency.

From Characterization to Simulation

Material characterization → Interface simulation → IP & results

Proprietary datasets GNN training Wet‑lab integration
IP portfolio: 3 invention patents + 2 software copyrights (pending)

Who We Are

X

Jiewen Xiao

Managing Director / Head of Technology

Pre-PhD · University of Sydney

20+ SCI papers · H‑index 17

National Scholarship (×2) · University Award (top 3) · Beijing Outstanding Graduate

Founder of SLISA Lab

Environmental ScienceChemical EngineeringAI for ScienceAtomic Simulation

Why Qcalc?

1. Efficiency First
Lean management, AI‑powered development, and automation – every resource goes into creating tangible value.

2. Self‑Sustaining
Our pipeline business generates steady cash flow, which fuels the development of our foundation model.

3. Flywheel Effect
Customer projects improve our models, and better models accelerate project delivery – a virtuous cycle.

4. Untapped Blue Ocean
Electrochemical atomic simulation is a specialized yet massive market, combining niche expertise with billion‑dollar potential.

Academician & Distinguished Professor network Global research collaborations High technological barriers

Ready to accelerate your electrochemical R&D?

Book a demo and see how our AI atomic simulation platform transforms your discovery process.

Book a Demo