Theoretical Chemistry Calculations · Molecular Dynamics Simulations · Research Services
LiangDong Technology serves universities, research institutes, and innovative pharmaceutical companies with professional technical services spanning quantum chemistry calculations, molecular dynamics simulations, and end-to-end research project support. With rigorous calculation plans and a standardized delivery system, we make every simulation a reliable basis for research.
Core Services
From electronic structure to mesoscale dynamics, from one-off computation commissions to long-term project co-development, LiangDong Technology turns complex computational science into research outcomes that are deliverable, reproducible, and publishable.
Quantum Chemistry
Based on first-principles quantum mechanics, we solve molecular electronic structures to reveal reaction mechanisms and energy-change patterns, providing microscopic explanations for experimental observations.
Molecular Dynamics
Track how a system evolves over time at atomic resolution, capturing conformational changes, diffusion and transport, and interfacial behavior—turning static structures into observable dynamic processes.
Research Services
Going beyond computation itself. We provide full-process research collaboration—from project design and data processing to publication figures and grant-material support.
Featured Service · Self-Service Computing
No approval waiting required. From your account you can upload structure files directly, choose the software, method, basis set, and force field, and the system automatically generates standard input files and submits them to the compute queue. Monitor queuing, progress, and result downloads in real time—a truly free and transparent computing platform.
A free computing environment built for researchers. From structure upload to result download, the entire process is under your control, supporting everything from small organic molecules to periodic systems.
After submission, tasks automatically enter the compute queue. You can check queue position, submission status, and progress (0–100%) at any time. Anomalies (e.g., non-convergence) trigger instant alerts, and interruption with recomputation is supported.
All outputs are automatically returned upon completion: log files, orbital files, trajectories (.xtc), density cubes (.cube), and more. Full-directory packaged download is supported, so no data is lost.
Each user's tasks are fully isolated, with data stored in dedicated directories inaccessible to others. After project closure, data is destroyed or archived per the agreed period, and ownership of the results belongs to you.
Covers common computation types such as DFT, coupled-cluster, frequency, excited states, molecular dynamics, and solvation models, with preset mainstream basis sets and force fields, while also supporting custom parameters.
Our Advantages
A professional team, stable compute power, standardized processes, and strict confidentiality form the four cornerstones of LiangDong Technology's delivery quality.
01
Core members come from chemistry, materials, physics, and bioinformatics, with years of first-principles and molecular simulation research experience—they understand computation and, more importantly, the logic of research.
02
A combination of self-built and elastic cloud compute power, supporting CPU/GPU hybrid parallelization and flexible scheduling based on system size, greatly shortening project cycles.
03
From plan review and parameter confirmation to mid-term feedback and final acceptance, the entire process is documented, delivering original input files, trajectory data, and a results report.
04
We sign NDAs, store data in isolation with tiered access control; after project closure, data is destroyed or archived per the agreed period, and ownership of research results belongs to the client.
Service Process
Every stage has a clear deliverable and confirmation step, so you always know exactly where your project stands.
Understand your research goals, system characteristics, and expected conclusions—clarifying the scientific question rather than merely listing software.
Deliver a calculation plan: method selection, basis set / force field, model construction, and compute estimates—launched only after mutual confirmation.
Modeling, parameter optimization, and batch submission, with full monitoring of convergence status and prompt adjustment or recomputation of anomalous tasks.
Data post-processing and mechanism analysis, combined with domain knowledge to produce scientific conclusions ready for publication.
Submit the analysis report, figures, and raw data, with Q&A support and follow-up supplementary computation provided.
Application Fields
Whatever your field, as long as the problem occurs at the molecular level, we can find an appropriate computational path.
Drug Discovery
Molecular docking, virtual screening, druggability assessment
Materials Science
Crystal structures, defects, mechanical & transport properties
Energy & Catalysis
Catalytic mechanisms, active sites, reaction barriers
Chemistry & Chemical Engineering
Reaction pathways, solvation effects, process optimization
Environmental Science
Pollutant adsorption, degradation mechanisms, interfacial processes
Life Sciences
Protein conformations, nucleic-acid systems, biomembrane simulations
Pricing Transparency
The cost of scientific computing is made up of several quantifiable parts. We list every fee involved so you can estimate the total before commissioning, with no hidden charges.
Billed by the actual CPU / GPU core-hours a task consumes. Larger systems and more iterations use more core-hours; through scheduling and parallel optimization, every core-hour delivers useful results.
Billed by actual usageCovers scheme design, model building, computation execution & convergence monitoring, post-processing and mechanism analysis. Assessed by project complexity and workload, with a PhD-level team involved throughout.
Assessed per projectPaper figure drafting, analysis report writing, grant / project-closing material support. Selected as needed — not bundled into basic computing services.
Optional add-onYou can publish a computing task free of charge and set a reference budget (for example ¥1,000). The platform only provides posting, matching and process records: no transaction service fee is charged, and no funds are collected, escrowed or forwarded.
The reference budget and the actual reward are negotiated and settled directly between publisher and assignee (corporate transfer or contract). The platform does not transfer any funds.
The total for a commissioned project or self-service computing consists of the following. A scheme assessment and clear quote are provided before work begins:
Exact amounts are determined by system size, method complexity and delivery requirements; computing starts only after the quote is confirmed.
Assess first, quote second, start third. All services begin only after the scheme is confirmed and the quote is clear, with no hidden charges beyond the agreed scope; self-service computing lets you view core-hour usage in real time from your account.