End-to-End Simulation Architecture

R&D Consultancy for Complex Scientific Solutions

Bridging the gap between multiscale simulations and commercial application through specialized service tracks tailored to research and industrial engineering teams.

Multiscale simulation solutions and workflows

Materials and Energy Science

QbitNova Tech delivers comprehensive computational consulting, high-performance computing infrastructure, specialized training for capacity building, and software distribution to accelerate discoveries across industry and academia.

Multiscale simulations, augmented by high-throughput analysis (HTA), Quantitative Structure Property Relationship(QSPR), and AI/ML techniques, provide a robust framework for investigating a wide range of problems.

Hydrogen storage materials

Surface Reactions and Catalysis

Polymers and Nanomaterials

Fuel-Cells and Battery Materials

QSPR & High throughput Analysis

Reaction Thermodynamics and Spectroscopic Simulations

Drug Discovery and Biomolecular Modeling

In Computer-Aided Drug Design (CADD), in silico experiments enable the pre-emptive determination of molecular properties and descriptors and the screening of thousands to millions of candidate materials before experimental validation, enabling faster, more cost-efficient, and sustainable drug discovery.

CADD and QSAR model development

Molecular docking, virtual screening, Lead Optimization

CADD Software Suite

Specialized CADD Training

Specialized Trainings & Workshops

Driving strategic academic and industrial collaborations in curriculum development, while delivering industry-grade workshops and certification programs that upskill researchers in multiscale computational modeling—including QSAR, molecular docking, and advanced lead optimization workflows.

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Internship

Work grounded in Multiscale computational simulations with connection to real-world problems, atomistic modeling, and rigorous interpretation rather than superficial software usage.

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Workshops

>Projects are framed to help experiments, materials decisions, and innovation roadmaps become clearer and more efficient.

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Training Programs

Support is structured for early ventures, academic groups, and industry teams that need flexible scientific problem solving.

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Corporate Training

Beyond projects, QbitNova helps teams develop internal understanding through training, workflows, and strategic technical guidance.

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High-Performance Computing

Effective HPC is more than purchasing servers. Compute resources, storage, networking, software, workflows, users, and future requirements must be considered together.

We connect scientific objectives with practical technology and capability-development plans, ensuring your computational investments translate directly into reliable research productivity and institutional growth.

Research-First Architecture

We evaluate your computational science methods, expected workload scaling, and user profiles to engineer a cohesive computing ecosystem tailored to mission-critical discovery.

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Joint Venture for Innovative CADD Solutions

QBITNOVA TECH and NOVALEAD PHARMA collaborate on the licensing, distribution, and professional training of VLifeMDS, an integrated Computer-Aided Drug Design (CADD) and molecular discovery platform developed in-house by NOVALEAD PHARMA.

The collaboration enables individual researchers and academic and industrial laboratories to access VLifeMDS through direct and annual licensing programs, complemented by specialized training and application support.

VLifeMDS: Complete CADD Solution

VLifeMDS integrated suite provides complete toolkit to scientists to perform all scientific functions required to pursue structure based as well as ligand based discovery approaches.

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