9 Rdkit Jobs

Position Summary As a Quantum Chemistry Intern, you will work at the intersection of quantum chemistry, computational chemistry, quantum computing, and AI/ML to accelerate molecular modelling, drug discovery, and materials simulation workflows on next-generation quantum and hybrid quantum-classical platforms built at QpiAI. You will contribute to R&D, algorithm development, benchmark creation, workflow automation, and integration of chemistry engines into the QpiAI quantum stack (classical + quantum). Key Responsibilities 1. Quantum & Computational Chemistry Build, simulate, and analyze molecular systems using ab-initio, DFT, semi-empirical, and post-HF methods. Prepare & run workflows for t...

Job Title: Assistant Research Scientist Location: Unilever R&D Bangalore About Unilever Unilever is reimagining the future of cleaning, and it starts with reinventing a century-old history of chemistry. Billions of people around the world are asking for products that are tough on germs and stains, and ever more convenient to use. But now, people also want these products to be kinder to the planet. The Purpose of the Science & Technology, Home care team is to provide Unilever with world class capability to develop next generation formats like powders, bars, liquids, capsule products with superior performance, great value, and sustainable technology. Within the S&T, team is responsible for exp...

Job Title: Assistant Research Scientist Location: Unilever R&D Bangalore About Unilever: Unilever is reimagining the future of cleaning, and it starts with reinventing a century-old history of chemistry. Billions of people around the world are asking for products that are tough on germs and stains, and ever more convenient to use. But now, people also want these products to be kinder to the planet. The Purpose of the Science & Technology, Home care team is to provide Unilever with world class capability to develop next generation formats like powders, bars, liquids, capsule products with superior performance, great value, and sustainable technology. Within the S&T, team is responsible for ex...

Position Purpose The role holder is responsible for collaboration & contribution to discovery programs at hit identification, lead design and optimization phase using AI/ML, cheminformatics and molecular modeling for an agrochemical industry. The role requires deep understanding of chemical, biological, scientific and statistical knowledge with past experience of its application. The role would also give an exposure to data analytics, digitalization, and exploration of new computational and AI/ML tools for research purpose. General Actively imbibing the values and philosophy of the organization and the department. Efficient contribution to the overall success of RDIT by driving innovation an...

Background: Unilever's Personal Care Science & Technology (S&T) team develops future fit technologies that enable superior, benefit led products. The Physical Sciences platform combines deep expertise in chemistry, emulsions, materials, surface and colloid science, and process engineering with advanced data science, AI/ML, and modelling techniques to translate cutting edge science into scalable product solutions. Our models and tools support ingredient selection, formulation optimisation, and claim substantiation, and are delivered as governed, self service assets for scientists and partners across S&T. Research outputs typically include next generation product technologies scaled to at leas...

In this role at Schrdinger, a science and technology leader specializing in software solutions for chemical simulations and predictive analyses, you will be an Application-Focused Materials Informatics & Optoelectronics Scientist contributing to the mission of leveraging advanced computational methods to enhance human health and quality of life. Joining the Materials Science team, you will work on diverse projects spanning optoelectronics, catalysis, energy storage, semiconductors, aerospace, and specialty chemicals. As an Application-Focused Materials Informatics & Optoelectronics Scientist at Schrdinger, your key responsibilities will include: - Researching, curating, and analyzing dataset...

Job Responsibilities Materials Solutions Platform Development & Strategic Impact- Collaborate with Materials SME, platform architects and product managers to define data-driven features for Materials (e.g. polymer selection, formulation prediction, and performance benchmarking) across multiple application segments. Data Extraction and Pipeline Development- Design and manage data extraction pipelines for materials-related documents (TDS, patents, publications) using Python, spaCy, ChemDataExtractor, OCR tools. Build automated workflows for data cleaning, annotation, tagging, and mapping using pandas, NumPy, regex, Snakemake. Semantic Modeling & Knowledge Graphs- Create structured databases an...

As a science and technology leader with over 30 years of experience in developing software solutions for physics-based and machine learning-based chemical simulations and predictive analyses, Schrdinger is looking for an application-focused Materials Informatics & Optoelectronics Scientist to join in the mission of improving human health and quality of life through the application of advanced computational methods. Joining the Materials Science team at Schrdinger will provide you with the opportunity to work on diverse projects in optoelectronics, catalysis, energy storage, semiconductors, aerospace, and specialty chemicals. You will love this job if you are a statistical and machine learnin...

Schrdinger is a science and technology leader with over 30 years of experience developing software solutions for physics-based and machine learning-based chemical simulations and predictive analyses. We are currently looking for an application-focused Materials Informatics & Optoelectronics Scientist to join our team in our mission to enhance human health and quality of life by leveraging advanced computational methods. As a part of our Materials Science team, you will have the opportunity to engage in various projects spanning optoelectronics, catalysis, energy storage, semiconductors, aerospace, and specialty chemicals. The ideal candidate for this role will be a statistical and machine le...