The investment round has been led by ACT Venture Partners with participation from Axon Partners Group, Abac Nest Venture Capital and GROW Venture Partners Nextmol, a pioneering spin-off company from the Barcelona Supercomputing Center which provides computational chemistry solutions to accelerate the R&D of sustainable specialty chemicals, has announced the successful closure of its first funding round. This round will boost its product development and sales efforts to better support the chemical industry in its green and digital transition. Nextmol drives forward R&D teams in the spec ..read more

We are looking for an HPC Cloud Engineer to help us to bring the platform to the next level. Requirements Minimum 3 years of demonstrable HPC Cloud Engineer experience. Solid experience in managing and optimizing HPC clusters using Slurm, including job policy configuration, resource management, and performance troubleshooting. Experience in managing and optimizing HPC clusters in the cloud using AWS ParallelCluster and / or AWS Batch, including job policy configuration, resource management, and performance optimization. Deep knowledge of Infrastructure as Code (IaC) tools such as Terraform ..read more

We are looking for a full stack developer with experience in web technologies to help us to bring the platform to the next level. Requirements Minimum 5 years of demonstrable web platform development experience. Experience with Python. Strong knowledge of FastAPI framework and security libraries such as OAuthLib or PyJWT. Experience with JS (ES6), Typescript, HTML 5, and CSS languages, especially with React, Tailwind and Bootstrap frameworks / libraries. Meteor framework is a plus. Experience in relational and non-relational database design, optimization, and querying techniques. Experience ..read more

Researchers from Nextmol, in collaboration with L’Oréal SA, have published the paper “Predicting the Glass Transition Temperature of Biopolymers via High-Throughput Molecular Dynamics Simulations and Machine Learning” in the journal ACS Applied Polymer Materials. The paper shows that the combination of machine learning (ML) approaches and high-throughput molecular dynamics (MD) simulations permits quick and efficient sampling and characterization of the relevant chemical design space for specific applications, such as biopolymers. Reliable simulation protocols have been implemented to evalu ..read more

Check out our new job offer in Barcelona! We are looking for a software developer with experience in web technologies to help us to bring our platform to the next level. Requirements Minimum 5 years of demonstrable web development experience. Fluent with JS (ES6), Typescript, HTML and Tailwind CSS. Experience with Next.js (App router) and React. DDD knowledge in TS and design patterns. Knowledge of MongoDB. Testing tools and methodologies like Vitest, Jest and Playwright. Experience with Linux operating system and Git Flow. Meteor is a plus. Jira and Bitbucket is a plus. Habit of working with ..read more

CHEManager International, the leading trade and business newspaper for the management in the chemical and pharmaceutical industry, publishes the article about Nextmol “Accelerating Chemicals Innovation Molecular Modeling and Artificial Intelligence for a More Efficient R&D” in its issue 04/2023. The article explains the technology and offering of the company, and showcases its computational laboratory platform. For more information, read the article or contact us. https://www.chemanager-online.com/en/news/accelerating-chemicals-innovation READ ARTICLE The post Featured on CHEManager I ..read more

Nextmol has participated in the Chemical Innovation Conference 2023 (CIEX) held in October 25-26th 2023 in Frankfurt, Germany. CIEX is an event for C-level R&D, Innovation and Sustainability experts from the consumer, industrial and specialty chemical sectors. Some of the talks of this year’s edition have spoken about: – Securing the competitiveness of the European Chemical Industry in the climate and circular transition – Leading Carbon Neutrality in Europe: Strategies, Tools, and New Carbon Markets – An Industrial Revolution – Going digital, circular, sustainable and climate ne ..read more

Researchers from Nextmol, in collaboration with the Centre for Research & Technology Hellas (CERTH), have published the paper “Enthalpy of dissociation of the mixed methane + propane sII hydrate along the three-phase equilibrium line” in the journal Molecular Physics. The paper presents a detailed overview of the calculation of the enthalpy of dissociation of structure II pure propane or mixed methane + propane hydrates, focusing primarily on methods that are based on either the Clausius-Clapeyron equation or the direct calculation of the enthalpies of all the components that are involv ..read more

AI & Big Data Congress is a reference conference on Artificial Intelligence and Big Data in the business sector. It is organized by the Center of Innovation for Data tech and Artificial Intelligence (CIDAI) and Eurecat, with the collaboration of the Barcelona Supercomputing Center, among others. It will take place on September 27-28, 2023 in Barcelona (Spain). Nextmol will participate with the talk “Breaking barriers: molecular modeling and AI for the chemical industry” by our Scientific Director Dr. Stephan Mohr. The post Nextmol participates in AI & Big Data Congress appeared first ..read more

Metal-organic frameworks (MOFs) are a fascinating class of hybrid porous solids made from the self-assembly of inorganic centres and organic linkers. Due to their reticular nature, MOFs offer a wide range of possibilities for the design of new materials with tailored chemistries and properties. These materials have already demonstrated a versatile potential for applications including gas sorption and separation, catalysis, drug delivery, and water harvesting. Nowadays, as databases of hundreds of thousands of synthesized and hypothetical MOF structures have been made available, the identificat ..read more