We help research groups and materials companies accelerate corrosion, catalysis, battery and coating development with GPU-accelerated molecular simulation — from adsorption screening to MLIP training, delivered with peer-review-grade quality.
Fixed-scope services with transparent pricing. Every deliverable includes raw data, publication-quality figures and a full methodology report.
Train or fine-tune DPA-4 / DPA-3.2 potentials for your target system (Fe, Cu, alloys, coatings). Model file + training report + validation (energy/force MAE, MD stability).
from USD 800 / projectBinding / adsorption energy screening of molecules on metal surfaces (fcc/bcc, multiple facets) with DPA or CHGNet — 50–300 systems per batch, ranked and benchmarked.
from USD 300 / batchNVT / NVE simulations of adsorbate stability, diffusion and interface behaviour (300–400 K). Trajectory analysis + energy statistics + stability ranking.
from USD 400 / systemDensity functional theory single points, geometry optimisation and adsorption energy validation to cross-check MLIP predictions — the dual-evidence standard.
from USD 250 / structureEnd-to-end support: calculations, figures, tables and methodology text for a manuscript — ready for submission to peer-reviewed journals.
from USD 1,200 / projectOne-on-one guidance on MLIP workflows, dataset preparation, DPA deployment on your cluster, or review of your simulation strategy.
USD 80 / hourA simple, transparent 4-step process. You always know what you get and when.
Send your system details (structure files, target properties, deadline). We reply within 24 h with a fixed quote and timeline.
50% deposit to start. We run the simulation on our GPU cluster with rigorous input validation and QC checkpoints.
Every result passes three-gate quality control (energy magnitude, element consistency, requirement match). Deliverable package: data + figures + report.
Two rounds of free revisions. Final payment on delivery. NDA and IP protection available on request.
Not a reseller of GPU hours — a research-grade computational team with a real publication record.
14+ peer-reviewed SCI articles in computational corrosion and materials screening (Surfaces and Interfaces, Materials Chemistry and Physics, Physica B). Your results meet journal standards by default.
Native DPA-4 / DPA-3.2 / CHGNet workflows with DeePMD-kit 3.2, the same family of models topping Matbench Discovery. Fine-tuning to your target chemistry available.
MLIP screening cross-checked with DFT (CP2K) validation — the standard that avoids the systematic-error criticism of pure ML predictions.
NDA by default. Your structures and data are never shared with third parties or reused for other clients. Clean-room processing on dedicated instances.
Typical turnaround is 3–7 working days depending on scope. Rush delivery (+50%) available for urgent projects.
Structure files (CIF, XYZ, POSCAR), the target surface/facet and the properties you need. If you don't have structures, we can build them for you.
Bank transfer or Payoneer/Wise. 50% deposit to start, 50% on delivery. Invoices in English or Chinese available.
Two rounds of free revisions. If the calculation itself fails to converge, we re-run at no cost or refund the affected part.
Yes. NDA by default, dedicated compute instances, and no reuse of client data across projects.
We sell methods, tools, data and compute — we do not provide ready-made product formulations or recipe optimisation for specific commercial products.
Yes — co-authorship and collaboration agreements are welcome, especially for computational + experimental teams.
Yes. We prepare data (DFT → DeePMD format), train/fine-tune DPA models on your data, and deliver the model + evaluation. Your dataset stays yours.
Send your system details and requirements — we reply with scope, price and timeline.
Hainan Shuimu New Materials Co., Ltd. · Haikou, China · Response within 24 h (CST)