Computational Chemist

xAI

SpaceXAI’s mission is to create AI systems that can accurately understand the universe and aid humanity in its pursuit of knowledge. Our team is small, highly motivated, and focused on engineering excellence. This organization is for individuals who appreciate challenging themselves and thrive on curiosity. We operate with a flat organizational structure. All employees are expected to be hands-on and to contribute directly to the company’s mission. Leadership is given to those who show initiative and consistently deliver excellence. Work ethic and strong prioritization skills are important. All employees are expected to have strong communication skills. They should be able to concisely and accurately share knowledge with their teammates. ABOUT THE ROLE: As an AI Tutor - Chemistry Specialist at SpaceXAI, you will be instrumental in enhancing our cutting-edge AI technologies by providing high-quality input and labels using specialized software. You will collaborate closely with our technical team to support the training of new AI tasks, contributing to innovative initiatives. Your responsibilities include refining annotation tools and selecting complex problems from advanced chemical sciences to drive significant improvements in model performance. This involves gathering or providing data in text, voice, and video formats, including annotations, audio recordings, or video sessions—tasks with which you must be comfortable and eager to engage. This position demands a dynamic approach to learning and adapting in a fast-paced environment, where your ability to interpret and execute tasks based on evolving instructions is crucial. The AI Tutor - Chemistry Specialist role is a remote full-time or part-time position (please see the bottom of this job description for more details). RESPONSIBILITIES: * Use proprietary software applications to provide input/labels on defined projects. * Support and ensure the delivery of high-quality curated data. * Play a pivotal role in supporting and contributing to the training of new tasks, working closely with the technical staff to ensure the successful development and implementation of cutting-edge initiatives/technologies. * Collaborate with the technical staff to enhance the design of efficient annotation tools. * Solve problems that help drive innovation in chemical sciences by guiding AI models to enhance research in specialized areas, improving outcomes in scientific discovery and application. * Choose problems from fields across chemistry that align with your expertise in specialized subdomains, including, but not limited to, organic chemistry, physical chemistry, analytical chemistry, inorganic chemistry, computational chemistry, polymer chemistry, nuclear chemistry, or medicinal chemistry, where you can confidently provide detailed solutions and evaluate model responses. * Regularly interpret, analyze, and execute tasks based on given instructions. BASIC QUALIFICATIONS: * Master’s or PhD in a chemistry-related field. * Expertise in chemistry-related subdomains, including, but not limited to, Organic Chemistry, Physical Chemistry, Analytical Chemistry, Inorganic Chemistry, Organometallic Chemistry, Biochemistry, Nuclear Chemistry, Computational/Theoretical Chemistry, Polymer/Materials Chemistry, Medicinal Chemistry, Catalysis, Surface/Colloid Chemistry, or Drug Discovery. * Proficiency in reading and writing, both in informal and professional English. * Strong ability to navigate various information resources, databases, and online resources is essential. * Outstanding communication, interpersonal, analytical, and organizational capabilities. * Solid reading comprehension skills combined with the capacity to exercise autonomous judgment even when presented with limited data/material. * Strong passion for and commitment to technological advancements and innovation. PREFERRED SKILLS AND EXPERIENCE: * Advanced expertise in chemistry, demonstrated by multiple publications, including at least one first-author paper, in reputable peer-reviewed journals * Previous AI Tutoring experience. * Teaching experience (as a professor, teacher, or tutor). * Experience in technical writing, journalism, or a professional writing setting. LOCATION AND OTHER EXPECTATIONS: * Tutor roles may be offered as full-time, part-time, or contractor positions, depending on role needs and candidate fit. * For contractor positions, hours will vary widely based on project scope and contractor availability, with no fixed commitments required.  On average most projects may involve at least 10 hours per week to achieve deliverables effectively though this is not a fixed commitment and depends on the scope of work. Contractors have full flexibility to set their own hours and determine the exact amount of time needed to complete deliverables.  * Tutor roles may be performed remotely from any location worldwide, subject to legal eligibility, time-zone compatibility, and role specific needs. * For US based candidates, please note we are unable to hire in the states of Wyoming and Illinois at this time. * We are unable to provide visa sponsorship. * For those who will be working from a personal device, your computer must be a Chromebook, Mac with MacOS 11.0 or later, or Windows 10 or later. COMPENSATION AND BENEFITS: US based candidates: $45/hour - $75/hour depending on factors including relevant experience, skills, education, geographic location, and qualifications. International candidates: Information will be provided to you during the recruitment process. Benefits vary based on employment type, location and jurisdiction. Benefits for eligible U.S. based positions include health insurance, 401(k) plan, and paid sick leave. Specific details and role specific information will be provided to you during the interview process. SpaceXAI is an equal opportunity employer. For details on data processing, view our Recruitment Privacy Notice.

CHALMERS TEKNISKA HÖGSKOLA AKTIEBOLAG

Join us at the Division of Chemical Physics, Department of Physics and Astronomy, and contribute to the development of next-generation artificial intelligence methods for materials discovery and sustainable energy technologies. About us  The Division of Chemical Physics conducts internationally recognized research at the interface of physics, chemistry, materials science, and data science. Our research spans computational materials design, catalysis, energy materials, machine learning, and artificial intelligence. We offer a collaborative and international research environment with close interactions between faculty, postdoctoral researchers, PhD students, and external partners from academia and industry. The Department of Physics and Astronomy is one of the largest departments at Chalmers University of Technology, with broad activities ranging from fundamental physics to applied research addressing societal challenges in energy, sustainability, and digitalization. About the research project   The project aims to develop novel AI and machine-learning methods for accelerated materials discovery. The focus is on combining generative AI, active learning, first-principles simulations, and machine-learning potentials to identify new multicomponent optoelectronic materials for energy-conversion applications. The successful candidate will contribute to the development of an autonomous materials-discovery framework capable of navigating extremely large compositional spaces while simultaneously optimizing multiple target properties such as optical performance, stability, and sustainability. Who we are looking for  We seek a highly motivated and independent researcher with a strong interest in artificial intelligence, computational materials science, and scientific software development. Mandatory qualifications A doctoral degree in Physics, Materials Science, Chemistry, Chemical Engineering, Computer Science, Applied Mathematics, or a closely related field, or an equivalent foreign degree. The degree must be awarded no later than the time the employment decision is made. Strong written and verbal communication skills in English. Experience in machine learning, scientific computing, computational physics, computational chemistry, or related fields. Experience with Python programming and modern scientific software development. Ability to work independently while contributing effectively to collaborative research projects. Strong analytical and problem-solving skills. Good interpersonal skills and a demonstrated ability to collaborate in interdisciplinary teams. You are expected to have some experience with teaching or supervision and to demonstrate strong potential for future development in both research and education. Meritorious qualifications It is highly meritorious if the doctoral degree has been obtained within the last three years prior to the application deadline. Experience with machine learning for scientific applications. Experience with deep learning frameworks such as PyTorch or TensorFlow. Experience with atomistic simulations, density functional theory (DFT), molecular simulations, or machine-learning potentials. Experience with generative AI, active learning, uncertainty quantification, Bayesian optimization, or reinforcement learning. Experience with high-performance computing (HPC). Experience supervising students or junior researchers. What you will do  As a postdoctoral researcher, you will: Develop machine-learning and AI methods for materials discovery. Design and implement active-learning workflows for autonomous exploration of materials spaces. Develop and evaluate generative AI models for inverse materials design. Perform large-scale computational screening using first-principles calculations and machine-learning potentials. Analyze structure–property relationships and extract scientific insights from AI models. Publish research results in leading international journals and present findings at international conferences. Contribute to the development of open and reproducible scientific software. The position also includes: Supervision of master's students and, to some extent, PhD students. Opportunities to contribute to teaching at undergraduate and master's levels. Collaboration with national and international academic and industrial partners. Contract terms   The position is a temporary full-time employment for two years with the possibility of a one-year extension.  The position requires physical presence throughout the entire employment. A valid residence permit must be presented by the start date, otherwise the offer may be withdrawn.  What we offer  As a postdoc at Chalmers, you are an employee and enjoy all employee benefits. Read more about  working at Chalmers  and our benefits for employees.  A dynamic and inspiring working environment in the coastal city of Gothenburg.  Read more about Sweden’s generous parental leave, subsidized day care, free schools, healthcare etc at Move To Gothenburg.  Chalmers is dedicated to improving gender balance and actively works with equality projects, such as the GENIE Initiative for gender equality and excellence. We celebrate diversity and consider equality and inclusion as fundamental aspects of all our activities.  If Swedish is not your native language, Chalmers offers Swedish courses to help you settle in.  Application procedure  The application should be written in English be attached as PDF-files, as below. Maximum size for each file is 40 MB. Please note that the system does not support Zip files.  CV  A comprehensive CV, including a complete list of publications.  Details of previous teaching and pedagogical experience.  Personal letter  A brief introduction about yourself.  A summary of your previous research fields and key research outcomes.  An outline of your future goals and research focus.  Use the button at the foot of the page to reach the application form.       A background check may be conducted as part of the application process.     Please note: The applicant is responsible for ensuring that the application is complete. Incomplete applications and applications sent by email will not be considered. Contact details to references will be requested after the interview.    We welcome your application no later than 17 July  For questions please contact:  Anders Hellman Professor  anders.hellman@chalmers.se

PhysicsX

ABOUT US PhysicsX is a deep-tech company with roots in numerical physics and Formula One, dedicated to accelerating hardware innovation at the speed of software. We are building an AI-driven simulation software stack for engineering and manufacturing across advanced industries. By enabling high-fidelity, multi-physics simulation through AI inference across the entire engineering lifecycle, PhysicsX unlocks new levels of optimization and automation in design, manufacturing, and operations — empowering engineers to push the boundaries of possibility. Our customers include leading innovators in Aerospace & Defense, Materials, Energy, Semiconductors, and Automotive. NOTE: WE ARE CURRENTLY RECRUITING FOR MULTIPLE LEVELS AND POSITIONS, HOWEVER PLEASE ONLY APPLY FOR THE ROLE THAT BEST ALIGNS WITH YOUR SKILLSET AND CAREER GOALS. WHAT YOU WILL DO  * Work closely with a multi-disciplinary team ranging form computational chemists with varied domain expertise to machine learning engineers to employ and advance the state-of-the-art machine learning techniques for solving a variety of problems in materials. * Develop and apply machine learning interatomic potentials (MLIPs) to model atomistic systems, leveraging and extending state-of-the-art frameworks and benchmark datasets. * Design and run experiments on large-scale chemistry and materials datasets, iterating on model architectures to improve accuracy, transferability, and generalisation across systems. * Own research workstreams at different levels of scope, depending on seniority, from model development through to evaluation on real-world materials problems. * Collaborate with the broader research team to ensure your models are robust, reproducible, and translatable into production-ready pipelines. * Work on high-performance computing infrastructure to handle the scale and complexity of atomistic simulations and generative modelling tasks. * Communicate your work internally and externally — through paper publications, industry workshops, and customer conversations — tailoring the message for both academic and non-academic audiences. * Mentor colleagues with less experience in computational chemistry or materials ML as the team grows.   WHAT YOU BRING TO THE TABLE * Enthusiasm for applying machine learning to real-world materials science and computational chemistry challenges, with a genuine interest in seeing your research have industry impact. * Ability to scope and effectively deliver research projects, balancing rigour with pragmatism. * Strong problem-solving skills and the ability to move quickly from a materials or chemistry challenge to a tractable computational formulation. * Excellent collaboration and communication skills — with research colleagues, engineers, and customers alike. * PhD in computational chemistry, physics, materials science or a closely related field. * Hands-on experience in using and fine-tuning at least one MLIP backend such as MACE or FAIRChem/OCP and their integration into larger computational framework. * Direct experience with established chemistry and materials benchmark datasets, such as OC20, OC22, or the Materials Project. * Proficiency in Python and experience working in high-performance computing environments as well as experience in contributing towards a large multi-module codebase * Experience with generative models preferably applied to molecular or materials systems. WHAT WE OFFER Build what actually matters Help shape an AI-native engineering company at a formative stage, tackling problems that genuinely matter for industry and society. This is work with real-world impact - and something you can be proud to stand behind. Learn alongside exceptional people Work with a high-caliber, collaborative team of engineers, scientists, and operators who care deeply about doing great work, and about helping each other get better. We come from diverse backgrounds, but we share a commitment to operating at the highest level and addressing some of the most complex challenges out there. If you’re ambitious, thoughtful, and driven by impact, you’ll feel at home. Influence over hierarchy We operate with a flat structure: good ideas win - wherever they come from. Questioning assumptions and challenging the status quo isn’t just welcomed, it’s expected. Sustainable pace, long-term ambition Building meaningful technology is a marathon, not a sprint. We believe in balancing focused, ambitious work with a life beyond it. Our hybrid model blends time together in our Shoreditch office with work-from-home days, giving you the flexibility to work sustainably while staying connected in person. And it doesn’t stop there … 🚀 Equity options - share meaningfully in the company you’re helping to build. 🏦 10% employer pension contribution - because investing in future matters. 🍽️ Free office lunches - to keep you energised and focused. 👶 Enhanced parental leave - 3 months full pay paternity and 6 months full pay maternity leave, to provide extra flexibility during the moments that matter most. 🍼 YellowNest nursery scheme - to help working parents manage childcare costs. ☀️ 25 days of Annual Leave (+ Public Holidays) - because taking time to rest matters. 🏥 Private medical insurance - 100% employee cover, giving you complete peace of mind. 💪 Wellhub Subscription - gain access to thousands of gyms, classes and wellness apps, supporting both physical and mental wellbeing. 👀 Eye tests - because good work depends on good health. 📈 Personal development - dedicated support for learning, development, and leveling up over time. 💛 Employee Assistance Programme (EAP) - confidential wellbeing support, available whenever you need it. 🚲 Bike2Work scheme and 🚆 Season ticket loan - to make getting to work easier and greener. 🚗 Octopus EV salary sacrifice - for a simpler, more sustainable way to drive electric. 🔎 Watch this space, we’re continuing to build this as we grow…   We value diversity and are committed to equal employment opportunity regardless of sex, race, religion, ethnicity, nationality, disability, age, sexual orientation or gender identity. We strongly encourage individuals from groups traditionally underrepresented in tech to apply. To help make a change, we sponsor bright women from disadvantaged backgrounds through their university degrees in science and mathematics.    We collect diversity and inclusion data solely for the purpose of monitoring the effectiveness of our equal opportunities policies and ensuring compliance with UK employment and equality legislation. This information is confidential, used only in aggregate form, and will not influence the outcome of your application.