78 Computational Chemistry Jobs

Role Overview We are seeking a highly analytical and computationally proficient individual to join our team with a strong research background. You will be instrumental in contributing to this role by either crafting challenging and insightful problems in your respective research domain, devising elegant computational solutions. Responsibilities: Quantitative Problem Design and Solutioning: Develop and conceptualize original, research-grade or graduate-level scientific problems with scientific coding/ programming, using Python. Rigorously define problem categories, secondary tags, and assign appropriate difficulty levels. Rigorously solve formulated problems using sound principles, ensuring a...

Scientific Coding Research Specialist PhD in Physics/ Chemistry/ Biology/ Mathematics Scientific Coding Research Specialist PhD in Physics/ Chemistry/ Biology/ Mathematics Noida , India Immediate Hiring | Remote | Contract | Freelancing We are hiring highly analytical and computationally proficient researchers across Physics, Biology, Mathematics and Chemistry. You will design challenging scientific problems in your research domain and develop precise, elegant computational solutions using Python. The work demands strong scientific reasoning, accuracy and research depth. This assignment involves rigorous problem creation, quantitative solutioning, and participation in structured review proce...

Evaluate LLM outputs (chemistry specific) Check experimental design, data interpretation & theory Identify factual & reasoning errors Masters / PhD in chemistry; strong analytical skill At dext ai, we refer candidates to AI-training companies Required Candidate profile Preferred: PhD (candidate/recipient) IIT (Indian Institute of Technology) alma mater Perks and benefits WFH at $20 to $30 per hour with flexible schedule

Job Position: Assistant Research Scientist Function: Science & Technology Scope: Beauty and Wellbeing Location: Bangalore Business Context and Main Purpose of the Job Beauty and Wellbeing (BW) is focused on Unmissable Brand Superiority and Making Market with Multi-Year Innovation Platforms and Excellence with Incremental turnover. Science & Technology (S&T) team is focused on big bets platforms such as Biotechnology, Advanced Materials, using Digital to excel with savings and growth. The role of the Science and Technology (S&T-Physical and Chemical Science-PCS) is to deliver breakthrough Differentiated & Superior Technologies to meet above B&W goals, in key markets and with power brands. S&T...

Responsibilities: * Deliver engaging lectures using multimedia tools * Must compulsory take video in the expected format and provide the content * Collaborate with department on curriculum development & assessment.

o Develop Multi-scale, modelling, Digital Material design capabilities to deliver materials to product and substrate insights o Vali Digital insights through In vitro protocols and proof of science. o Build pipeline of computational proof of principles based on Material, Product and Substrate o Build IP funnel for differentiated & exclusive consumer benefits o Delivers effective reporting of scientific data, including peer-revie publications o Communicate and work closely with global team to incorporate new technologies into product o Apply Thought leadership through speed & teamwork Key Interfaces o S&T Scientists (cross functional expertise) o Design platform leaders o Patent attorney o Ac...

Role: Chemistry Expert Location: Remote We are hiring Chemistry Experts to support a top-tier AI project focused on developing advanced, real-world chemistry problem sets. This flexible, fully remote hourly contract pays $65$75/hour . What You'll Do: Create, solve, and review challenging chemistry problems Apply deep expertise to strengthen frontier AI model training Collaborate asynchronously with a team of domain specialists What Makes You a Great Fit: Master's or PhD in Chemistry from a leading US university Experience with Python or R Background in Quantum Chemistry or Computational Chemistry Strong attention to detail and excellent communication skills High English proficiency Based in ...

Job Position: Assistant Research Scientist Function: Science & Technology Scope: Beauty and Wellbeing Location: Bangalore Business Context and Main Purpose of the Job Beauty and Wellbeing (BW) is focused on Unmissable Brand Superiority and Making Market with Multi-Year Innovation Platforms and Excellence with Incremental turnover. Science & Technology (S&T) team is focused on big bets platforms such as Biotechnology, Advanced Materials, using Digital to excel with savings and growth. The role of the Science and Technology (S&T-Physical and Chemical Science-PCS) is to deliver breakthrough Differentiated & Superior Technologies to meet above B&W goals, in key markets and with power brands. S&T...

Responsibilities: * Work on molecular design, virtual screening, integrating computational predictions with synthesis insights. * Optimize chemical properties through modeling techniques * Collaborate with R&D team on research projects

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...

Join Aganitha and contribute to the discovery of impactful medicines! Aganitha is a pioneer in co-innovating with global clients using cutting-edge technologies like computational chemistry, materials science, AI/ML, and high-performance computing. As a Scientist at Aganitha, you will collaborate with research leaders to design innovative solutions for various industries, including Biopharma, consumer brands, and materials design. **Key Responsibilities:** - Perform advanced computational simulations to understand stability and design principles of various systems. - Apply computational methods to materials design for semiconductor devices, greenhouse gas capture, skin and body care formulat...

Role Overview: Novartis is undergoing a digital transformation to lead the industry in utilizing digital technologies for drug discovery and development. The Artificial Intelligence & Computational Sciences (AICS) team is at the forefront of this transformation, applying advanced AI and ML methodologies to generate novel insights for drug discovery and improve efficiency in the development process. As a Scientific Innovation Senior Expert within AICS, you will play a crucial role in ensuring scientific rigor and innovation in AI applications for drug discovery. Key Responsibilities: - Collaborate with AI researchers and Subject Matter Experts (SMEs) to apply AI to drug discovery effectively....

Chemistry: Designations: Assistant Professor, Associate Professor, and Professor Experience: 0 to 20 Years Job Location: Vellore, Tamil Nadu, India Desired Skillset: Applicants should preferably hold a Ph.D. in the relevant subject from reputed Institutions. Should have sufficient experience in Teaching, Industry & Research with reputed Institutions. Should have research papers published in International / National Journals. Should have books published and Scholars awarded / currently working for. Applicants with patents registered / consultancy works carried out will be given preference. Exposure in handling high-value funded projects will be an added advantage Preferred Qualifications: Ph....

Scientific Innovation Senior Expert: Work with a team of AI researchers and SMEs with core domain expertise in applying AI to drug discovery. Work with AI modelers to ensure models are robust and performant Work with Engineering and Product Development resources to ensure delivery of AI solutions. Raise the awareness of AI applications to aid in answering key research questions across BR. Help position AI-aided drug discovery contributions to deliver and support progress of BRs portfolio, enable new kinds of therapeutic discoveries, shorten cycle times, and increase efficiency. Collaboration & partnership: Act as liaison of AICS for identification of research questions, solution design, and ...

We are seeking a Computational Medicinal Chemist to support drug discovery programs. The candidate will focus on in silico design, optimization, and evaluation of small molecules, integrating insights from structural biology and bioinformatics to accelerate lead identification and optimization. Key Responsibilities: Apply RDKit for cheminformatics and use ADMET prediction tools to guide compound selection. Analyze SAR (structure-activity relationships) and prioritize compounds using QSAR/QSPR modeling. Design and optimize small molecules using computational approaches. Collaborate with structural biologists and bioinformaticians to interpret protein-ligand interactions. Develop and maintain ...

As a Junior Application Scientist at Advent Informatics Pvt Ltd, you will play a crucial role in providing technical support and making product presentations to customers interested in our software offerings. Your responsibilities will include: - Online/onsite presentation (and demonstration) of our CADD/Molecular Modelling/Cheminformatics/Scientific Data Management software suite. - Providing technical and scientific support to both existing and prospective clients. - Publishing scientific papers and participating in conferences and seminars. - Training clients on the software to ensure they derive the best value. - Supporting installation and troubleshooting for clients and evaluators. - D...

About Us QClairvoyance Quantum Labs is a startup pioneering quantum computing fordrug discovery. Our mission is to revolutionize the pharmaceutical industrythrough innovative quantum technologies. PositionOverview We are seeking a Quantum Analyst (Intern) to join our R&D team at QClairvoyanceQuantum Labs. The role focuses on developing and applying quantumalgorithms using platforms like Qiskit to solve real-world problems in quantumcomputing and molecular simulations. The ideal candidate will have a strong foundation in quantum mechanics and programming, with a passion forinnovation at the intersection of quantum science and emerging technologies.Knowledge in pharmacy/bio-informatics is a pl...

Business Context and main purpose of the job Beauty and Wellbeing (BW) is focused on Unmissable Brand Superiority and Making Market with Multi-Year Innovation Platforms and Excellence with Incremental turnover. Science & Technology (S&T) team is focused on big bets platforms such as MultiOmics, Biotechnology, Advanced Materials, using Digital to excel with savings and growth. The role of the Science and Technology (S&T-Physical and Chemical Science-PCS) is to deliver breakthrough Differentiated & Superior Technologies to meet above B&W goals, in key markets and with power brands. S&T-PCS team is employing Advance materials, Substrate Science and Digital to deliver Beautiful, Noticeable, Appe...

o Develop Multi-scale, modelling, Digital Material design capabilities to deliver materials to product and substrate insights o Validate Digital insights through In vitro protocols and proof of science. o Build pipeline of computational proof of principles based on Material, Product and Substrate o Build IP funnel for differentiated & exclusive consumer benefits o Delivers effective reporting of scientific data, including peer-reviewed publications o Communicate and work closely with global team to incorporate new technologies into product o Apply Thought leadership through speed & teamwork Direct Reports Key Interfaces o S&T Scientists (cross functional expertise) o Design platform leaders ...

o Develop In vitro capabilities & Technology pipeline to deliver consumer benefit through Sustainable materials & mechanistic insights o Drive Design of Experiments to strengthen expertise area through proof of science. o Build, learn and apply skills in cheminformatics skill to led technology funnel. o Build IP funnel for differentiated & exclusive consumer benefits o Delivers effective reporting of scientific data, including peer-reviewed publications o Communicate and work closely with global team to incorporate new technologies into product o Apply Growth Mind set through speed & teamwork Direct Reports Key Interfaces o S&T Scientists (cross functional expertise) o Design platform leader...

Business Context and Main Purpose of the Job Beauty and Wellbeing (BW) is focused on Unmissable Brand Superiority and Making Market with Multi-Year Innovation Platforms and Excellence with Incremental turnover. Science & Technology (S&T) team is focused on big bets platforms such as Biotechnology, Advanced Materials, using Digital to excel with savings and growth. The role of the Science and Technology (S&T-Physical and Chemical Science-PCS) is to deliver breakthrough Differentiated & Superior Technologies to meet above B&W goals, in key markets and with power brands. S&T-PCS team is employing Advance materials, Substrate Science and Digital to deliver Beautiful, Noticeable, Appearance Benef...

As an AI Drug Discovery Scientist at our company, you will play a crucial role in developing innovative approaches to support our internal drug development pipeline and external partnerships in the field of oncology drug development. Your primary focus will be on accelerating the path from target identification to therapy through the application of cutting-edge AI and ML tools. **Key Responsibilities:** - Expand, select, and apply datasets and AI/ML tools to integrate preclinical and clinical data for understanding mechanisms of action (MOA) and therapeutic potential - Analyze genomic contexts of cancer pathways to optimize MOA-indication matching - Identify biomarkers that enhance molecular...

Guest Instructor (Chemistry & Interdisciplinary) MetaChem Academy Job Summary MetaChem Academy invites accomplished researchers and professionals to design and deliver online workshops in chemistry and allied fields (materials science, energy, polymers, electrochemistry, analytical techniques, computational chemistry, biointerfaces, etc.). Our audience spans undergraduates, graduates (BS/MS), PhD scholars, postdocs, and faculty , so sessions should balance conceptual depth with practical application. Responsibilities Propose a focused workshop (25 days; 1.5 hrs/day) with clear learning outcomes Prepare slides/demos, datasets, or case studies; provide references/reading Teach live on Zoom; en...

Job Title: Chemistry - AI Trainer Location: Remote Job Summary: Join our customer's team as a Chemistry - AI Trainer and play a pivotal role in shaping the next generation of AI-driven chemistry solutions. In this full-time, remote position, you will leverage your chemistry expertise to enhance and train AI models, ensuring precise and contextually accurate chemical knowledge. If you are passionate about science and technology, this is your chance to make a direct impact in a rapidly evolving field. Key Responsibilities: Collaborate with AI engineers and data scientists to develop and refine chemistry-related AI models. Analyze and curate chemistry datasets to enhance AI training quality and...

Advent Informatics Pvt Ltd, distributor of Computational Drug Discovery software solutions and services in India, is looking for talented and motivated candidates to join the team as a Junior Application Scientist. As a Junior Application Scientist, you will be focused on providing technical support and make product presentations to our customers showing interest in our product offerings. Responsibilities Online/onsite presentation (and demonstration) of our CADD/Molecular Modelling/Cheminformatics/ Scientific Data Management software suite. Provide technical and scientific support to our existing and prospective clients. Publish scientific papers and participate in conferences and seminars....