Hyderabad Telangana Python startup Jobs – 109 Open Jobs Today

Scientist (QM applications for Catalysis & Materials)
Aganitha AI —Hyderabad, Telangana
- Full-time
- Doctoral degree
- Research
- Analysis skills
Senior Automation Engineer
QualiZeal —Hyderabad, Telangana
- Full-time
- Oracle
- SQL
- APIs
Sr. Migration Modernization Architect, Professional Services
AWS ProServe IN - Karnataka —Hyderabad, Telangana
- Full-time
- Doctoral degree
- Computer Science
- Engineering
Senior Snowflake Developer
QualMinds Technologies —Hyderabad, Telangana
- Microsoft Access
- Azure
- Computer Science
Quick apply
Chief Cybersecurity Solutions Officer (CCSO)
Loginsoft —Hyderabad, Telangana
- Full-time
- Azure
- Research
- Software development
2200_Product Manager
Recruise —Hyderabad, Telangana
- ₹5 - ₹25 an hour
- Full-time
- Engineering
- Master's degree
- Bachelor's degree
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Principal Software Engineer
Keka Technologies Pvt. Ltd —Hyderabad, Telangana
- Full-time
- Computer Science
- Master's degree
- Bachelor's degree
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Sr Talent Acquisition Partner
Cohere Health —Hyderabad, Telangana
- Computer Science
- Java
- AWS
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Senior Test Engineer
QualiZeal —Hyderabad, Telangana
- Full-time
- Java
- Python
Director – Software Development
QualiZeal —Hyderabad, Telangana
- Full-time
- Azure
- Java
- AWS
[India] Senior ASIC Implementation Engineer
EdgeCortix —Hyderabad, Telangana
- Full-time
- Engineering
- Research
- Analysis skills
- Paid time off
- Paid sick time
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Senior Staff Engineer
India Health Link Pvt Ltd —Hyderabad, Telangana
- Azure
- Computer Science
- B.Sc
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Senior Firmware Engineer
QualiZeal —Hyderabad, Telangana
- Full-time
- C++
- Agile
- Budgeting
Sr Associate IS Analyst – Veeva Automation Engineer
Amgen —Hyderabad, Telangana
- Computer science
- DevOps
- Public speaking
Lead - Growth Engineer
Zuddl —Hyderabad, Telangana
- SQL
- JavaScript
- APIs
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[India] Senior UCIe Verification Engineer
EdgeCortix —Hyderabad, Telangana
- Full-time
- Research
- Scripting
- Python
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Business Development Executive Intern
Dhiora Groups —Hyderabad, Telangana
- From ₹5,000 a month
- Full-time
- Research
- Java
- Business development
Quick apply
11d

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Scientist (QM applications for Catalysis & Materials)

Aganitha AI
Hyderabad, Telangana

Apply Now

Job details

Full-time

Qualifications

Doctoral degree
PyTorch
Research
Ab Initio
Fortran
Analysis skills
C++
Julia
C
RDF
Chemistry
AI
Communication skills
Python

Full job description

Join us and contribute to the discovery of medicines that will impact lives!

Hyderabad, India | Hybrid | Full-Time

About Aganitha

Accelerate drug discovery and development for Biopharma and Biotech R&D with in silico solutions leveraging Computational Biology & Chemistry, High throughput Sciences, AI, ML, HPC, Cloud, Data, and DevOps.

In silico solutions are transforming the biopharma and biotech industries. Our cross-domain science and technology team of experts embark upon and industrialize this transformation. We continually expand our world-class multi-disciplinary team in Genomics, AI, and Cloud computing, accelerating drug discovery and development. What drives us is the joy of working in an innovation-rich, research-powered startup bridging multiple disciplines to bring medicines faster for human use. We are working with several innovative Biopharma companies and expanding our client base globally. Read about how and what solutions we build.

Aganitha (अगणित): “countless” or “limitless” in Sanskrit serves as a reminder and inspiration about the limitless potential in each one of us. Come join us to bring out your best and be limitless!

Role Overview

High-throughput experimentation, computational & data-driven modeling, and the advent of the Open Science era are fundamentally transforming research, discovery, and development across diverse industries. Aganitha is at the forefront of co-innovation with global clients, shaping next-generation R&D (aganitha.ai). While our primary client base has been in global Biopharma, we are actively expanding our collaborations into consumer brands and in the materials design industry.

You will collaborate closely with research leaders at our client organizations, identifying their needs and designing innovative solutions. Working with our internal technical and scientific teams, you will drive solutions from concept to launch and growth. You may also interact with external vendors to coordinate experimental validation of the in silico solutions developed at Aganitha.

To excel in this role, you must possess a strong interest in engaging with customers to apply the latest scientific and technological advancements for R&D acceleration, thereby contributing to Aganitha’s growth.

Aganitha is looking for a computational scientist. The core of this role involves applying advanced modeling to chemical reactions, catalysis, materials, and soft matter systems, spanning organometallics, bio-catalysis, polymers, and self-assembly processes.

Key Responsibilities

Execute simulations using DFT, ab initio quantum chemistry, QM/MM, periodic and non-periodic quantum methods, and molecular dynamics to study reaction pathways, transition states, catalytic mechanisms, molecular interactions, stability, and self-assembly in systems such as organometallics, enzymes, crystalline materials, surfactants, polymers, colloids, and biomolecules.
Apply computational methods to support molecular and materials design for applications including semiconductors, greenhouse gas capture, and formulations (e.g., skin care ingredients, pharmaceutical excipients), and investigate interactions between components (e.g., surfactants with skin, hair, or fabrics).
Interpret simulation outputs (e.g., RDFs, binding energies, density profiles) and extract descriptors or features for AI/ML models; validate insights with experimental data, contribute to ligand/material design, stay current with literature, and support publications or patents.

Required Qualifications

PhD in computational chemistry, chemical physics, materials science, polymer/surfactant science, soft matter physics, or related fields required for research roles;

Demonstrated research experience in computational modeling of chemical reactions, catalysis, materials, or soft matter systems. Examples may include:

Reaction mechanism and transition state modeling using DFT or ab initio quantum chemistry (e.g., organometallic catalysis, enzyme catalysis, reaction pathways).
Computational studies of heterogeneous catalysis or materials properties using periodic electronic structure methods (e.g., adsorption, surface reactions, defect chemistry in catalytic or semiconductor materials).
Molecular dynamics or QM/MM simulations of biomolecular or soft matter systems (e.g., enzymes, proteins, polymers, surfactants, or colloidal assemblies).
Modeling of intermolecular interactions and self-assembly processes in complex formulations (e.g., surfactant micelles, polymer networks, or biomolecular complexes).
Free energy calculations, enhanced sampling, or statistical mechanics approaches to understand molecular stability, binding, or phase behavior.

Evidence of strong research output through peer-reviewed publications, conference presentations, or patents in computational chemistry, catalysis, materials modeling, or related areas is highly desirable.

Technical Skills

Proficiency with computational chemistry and molecular simulation software such as Gaussian, ORCA, VASP, Quantum ESPRESSO, CP2K, CPMD, NAMD, AMBER, LAMMPS, GROMACS, PySCF, SIESTA, OpenMM, or similar tools for electronic structure calculations, molecular dynamics, and hybrid modeling.
Programming experience in Python, Fortran, C++, or Julia for workflow automation, data analysis, visualization, and HPC workflows on clusters or GPUs.
Strong understanding of quantum mechanics, statistical thermodynamics, reaction kinetics, free energy calculations, and high-throughput computational screening.

Added Advantages

AI/ML familiarity (e.g., PyTorch, scikit-learn) for screening and prediction.
Experience in reaction mechanism studies and catalysis research.
Experience with enhanced sampling techniques (e.g., ab-initio MD, metadynamics, umbrella sampling).
Expertise in advanced HPC/GPU parallelization.
Postdoctoral experience

Soft Skills

Strong communication skills with the ability to simplify complex scientific concepts for cross-functional teams.
Collaborative and adaptable mindset with strong analytical and critical thinking in fast-paced research environments.

Apply Now

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python startup jobs in hyderabad telangana

Scientist (QM applications for Catalysis & Materials)

Senior Automation Engineer

Sr. Migration Modernization Architect, Professional Services

Senior Snowflake Developer

Chief Cybersecurity Solutions Officer (CCSO)

2200_Product Manager

Principal Software Engineer

Sr Talent Acquisition Partner

Senior Test Engineer

Director – Software Development

[India] Senior ASIC Implementation Engineer

Senior Staff Engineer

Senior Firmware Engineer

Sr Associate IS Analyst – Veeva Automation Engineer

Lead - Growth Engineer

[India] Senior UCIe Verification Engineer

Business Development Executive Intern