Error & delay rate <2% commitment
Accuracy and speed, contract-backed
Nature Materials acknowledgment
Prof. Lu's group · HEA NEB
MaterHaven APU Computing Power
Purpose-built: 300%–800% faster
Chief slots by appointment
3 review slots left this month
Solutions across 9 disciplines
First-Principles / Quantum Chemistry / MD
Chief Scientist team
Led by Liu Jie, full-time team
MaterHaven Dedicated Computing Power
In-house APU, never shared
Fast and accurate
Error & delay rate <2% guaranteed
End-to-End Materials Computing
First-Principles · DFT Calculations
Electronic structure and reaction-pathway calculations for catalysis, batteries, alloys and more — the theoretical standard in top-tier journals.
Quantum Chemistry · Quantum Chemistry
Resolves molecular structure and reactivity at the electronic level — a powerful tool for explaining mechanisms and answering reviewer challenges.
Molecular Dynamics · AIMD
Reproduces the time evolution of materials at the atomic scale — the gold standard for interface processes and ion transport.
Molecular Simulation · Molecular Simulation
Multi-scale computing from atoms to the mesoscale: adsorption, separation and large-scale molecular screening.
Finite Element Simulation · FEA
Structural, thermal, fluid and electromagnetic multiphysics solving that links material performance to device behavior.
Phase Diagram Analysis · CALPHAD
Quantifies phase stability and transformation pathways — a theoretical map for alloy composition design.
Machine Learning · ML Potentials
Machine-learned potentials deliver near-DFT accuracy at 10,000× the speed, making long-time dynamics on large systems feasible.
Monte Carlo · Monte Carlo
A stochastic sampling method for statistical simulation — alloy ordering, adsorption statistics and phase-transition statistics.
Life Cycle Assessment · Life Cycle Assessment
Quantified carbon footprint, energy use and environmental impact across the full material and product life cycle — supporting ESG and green supply chains.
Leading high-end materials computing
Master's-Level Delivery Team
Master's graduates from China's leading universities, PhD-guided, driven by APU compute.
MaterBox Computing Center
In-house dedicated APU compute, boosting NEB efficiency by 300%–800%.
Error rate <2% and project delay rate <2% — our commitment
Accuracy and turnaround written into the contract — 5% penalty per day of delay
Traceable End to End
Every dataset comes with a Computational Traceability Report, verifiable for life.
Application Areas of Simulation
Applied across disciplines to power research breakthroughs
First-Principles
Electronic structure and reaction pathway calculations for catalysis, batteries, alloys and more — the standard toolkit for top-journal theory work. NEB transition-state searches delivered in 3 days (industry average: 14).
One-on-one answers to your questions
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Quantum Chemistry
Resolve molecular structure and reactivity at the electronic level — a powerful tool for explaining mechanisms and answering reviewer challenges. Spectral simulations delivered in 5 days.
One-on-one answers to your questions
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Molecular Dynamics
Reproduce how materials evolve over time at the atomic scale — the gold standard for interfacial processes and ion transport studies. AIMD simulations delivered in 7 days (industry average: 30).
One-on-one answers to your questions
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Molecular Simulation
High-throughput molecular screening and property prediction that speed up materials discovery and formulation work. Molecular screening delivered in 7 days.
One-on-one answers to your questions
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Finite Element Simulation
Coupled multiphysics analysis of cross-scale mechanical, thermal and electrical behavior from micro to macro. Multiphysics simulation delivered in 10 days.
One-on-one answers to your questions
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Phase Diagram Analysis
CALPHAD phase diagram calculations for multicomponent systems, guiding alloy design and heat treatment optimization. Phase diagram calculations delivered in 7 days.
One-on-one answers to your questions
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Machine Learning
Machine-learning potential training and property prediction that extend DFT accuracy to large-scale, long-time simulations. Potential training delivered in 14 days.
One-on-one answers to your questions
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Monte Carlo
Statistical sampling and stochastic process simulation for equilibrium properties and phase transition behavior. Monte Carlo simulation delivered in 7 days.
One-on-one answers to your questions
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Life Cycle Assessment
Cradle-to-grave quantification of life-cycle environmental impact, supporting green material and sustainable process decisions. LCA reports delivered in 10 days.
One-on-one answers to your questions
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Chipierce · SwiftMater leadership
Xiao Zhiqiang | Chief Delivery
15 years in omnichannel marketing, with a materials science background and sharp commercial instincts. He orchestrates our full "PhD problem-solving + MSc execution" delivery system, working to make SwiftMater the "high-speed rail" of materials computing and to make our ">98% accuracy" promise real through brand-and-performance alignment.
Liu Jie | Chief Scientist
Deep expertise in high-performance computing and materials-computing chip architecture. He led development of our disruptive purpose-built APU architecture, breaking through the classic memory wall, and provides algorithmic guidance and ultimate technical endorsement for SwiftMater, laying the foundation for our "physical validity first" principle.
Fan Zhengwei | Chief Strategy
Focused on commercializing AI for materials R&D (AI4M). He has brought APU and Hexi servers into more than 30 universities and companies in China and abroad, and leads corporate strategy and capital operations to build a new digital paradigm for materials R&D.
PhD delivery director team
Shao Lei
Expertise: machine-learning potentials, molecular dynamics, ion migration in solid electrolytes
Li Junhua
Expertise: semiconductor process simulation, TCAD, etch / deposition process optimization
Master's delivery specialist team
Zhu Xiaobo
Expertise: computing job scheduling, first-principles calculations, first-pass QC
Xu Feihong
Expertise: DFT/CMD calculations, VASP/CP2K operations, error handling
Qiao Haoyu
Expertise: machine-learning molecular dynamics, APU parameter tuning
Zhuang Zikun
Expertise: quantum dynamics, quantum computing, exploring algorithmic acceleration
Li Xinhang
Expertise: machine-learning potential training, dataset construction and model validation
Five Service Guarantees
Fast and accurate — our promise
Error rate < 2%, project delay rate < 2%
Delay Compensation
5% penalty per day of delay
Chief Expert Final Review
Delivered only after sign-off
Full Traceability
Data traceable for life
After-Sales Support
Help with reviewer queries
Helping groups reach top journals
Service Process
Submit your request
1-hour response
Initial screening
Feasibility assessment
Final review proposal
Reviewed by Bian Xiaobo
Sign the SLA
Speed & accuracy, contract-backed
Computation runs
Live progress tracking
Final review and delivery
Sign-off + traceability report
Some money we won't take.
- ✕No private student jobs on a tight budget
- ✕No exploratory projects that just want rough numbers
- ✕No tasks without a well-defined physical model
- ✓PI-signed contracts only
- ✓Only SLA contracts with clear delivery standards
- ✓Accountable for what we guarantee
Knowing what to refuse is what lets us deliver the very best.
Partner Institutions
Dr. Bian's team's command of convergence criteria was key to getting our Nature Materials paper accepted.
The SLA commitment letter made our research funding auditable for the first time, and the traceability report went straight into the paper's SI.
Materials computing's bullet train — seats left
Submitting a request is not an order; it only means you have passed our initial screening.