# Entalpic

> Accelerating Chemistry & Materials R&D with Artificial Intelligence


## Posts

- [Celebrating one year of LeMaterial](https://entalpic.ai/celebrating-one-year-of-lematerial/): Celebrating one year of LeMaterial: How open collaboration is accelerating materials discovery In December 2024, we announced the launch of LeMaterial, an open-source initiative led by Entalpic in collaboration with Hugging Face, designed to accelerate materials discovery by making high-quality datasets, benchmarks, models, and tools openly accessible to the AI for Science community. A year later, LeMaterial has grown from a first dataset into a broader collaborative effort. This article looks back at LeMaterial’s first year, including the collaborations that made it possible and the contributions released so far. LeMaterial’s first year: building collaboration for AI4Science LeMaterial’s main focus has
- [Entalpic and Centrale Lille’s REALCAT Platform partner to accelerate catalyst discovery with AI](https://entalpic.ai/entalpic-and-realcat-partner/): Entalpic and Centrale Lille’s REALCAT Platform partner to accelerate catalyst discovery with AI Paris & Lille, 24 September 2025 Entalpic, an AI-first chemistry and materials R&D startup, and REALCAT, a leading higher education and research institution, announce a strategic partnership to accelerate the discovery of new catalysts through artificial intelligence. The collaboration, named REALTAPIC, combines Entalpic’s generative AI platform with REALCAT’s cutting-edge high-throughput experimentation (HTE) platform, uniquely integrating biocatalysis, homogeneous and heterogeneous catalysis, and materials science under one roof. Over the next 18 months, the two partners will develop AI-augmented workflows for catalyst screening, designed for industrial chemical applications. The goal: to
- [Entalpic and OCP SPS join forces to advance innovation in battery materials and chemical extraction](https://entalpic.ai/entalpic-and-ocp-group-join-forces/): Entalpic and OCP SPS join forces to advance innovation in battery materials and chemical extraction Paris, 18th September 2025 Entalpic, an AI-driven materials discovery startup, is proud to announce its collaboration with OCP Group, through its Strategic Business Unit Specialty Products & Solutions (SPS) the world’s largest producer of phosphate and derivatives. The collaboration between Entalpic and OCP SPS aims to advance the applications of lithium iron phosphate (LFP), particularly in cathode materials. By leveraging advanced AI tools, the teams will work to better understand and optimize the extraction of valuable elements from OCP’s phosphate materials and byproducts, and to explore LFP-related applications across different fields, including energy
- [Going beyond manual experiments to scale materials discovery](https://entalpic.ai/hte-to-scale-materials-discovery/): Going Beyond Manual Experiments to Scale Materials Discovery The glass ceiling of manual chemistry Step into any chemistry lab, and you will encounter the typical clichés: scientists in white coats and protective googles, pipettes in hand, laser-focused on crafting new materials — one reaction at a time. This artisanal model has its merits; it is at the origin of our modern society. However, it cannot keep pace with today’s exponential demand for innovation, whether to match rising energy demands or mitigate climate change. Why is that, you may ask? Several reasons: Time-to-discovery: Moving a single formulation from an idea to a
- [How is AI accelerating Materials Discovery— and why are GFlowNets a core ingredient ?](https://entalpic.ai/gflownets-ai-materials-discovery/): Discovery how GFlowNets are transforming industrial R&D by helping scientific and chemistry teams discover novel, high-performance materials faster and smarter.

## Pages

- [Publications](https://entalpic.ai/publications/): Publications Accessing numerical energy hessians with graph neural network potentials and their application in heterogeneous catalysis – The Journal of Physical Chemistry – 2025   This paper introduces a method to compute accurate energy Hessians using pretrained GNNs, enabling faster free energy corrections and transition state searches.  ​ Authors: Brook Wander, Joseph Musielewicz, Raffaele Cheula, John R. Kitchin  ​ Read Paper Data-driven analysis of text-mined seed-mediated syntheses of gold nanoparticles – Royal Society of Chemistry – 2025   This paper builds the largest validated dataset of gold nanoparticle syntheses using a hybrid LLM-based approach, uncovering how shape depends on precursor
- [White Paper](https://entalpic.ai/entalpic-white-paper/): Entalpic’s White Paper Trial-and-error has shaped materials discovery for centuries.  At Entalpic, we believe the next breakthroughs will come from AI-based discovery pipelines. We are building a full-stack AI platform that combines predictive models, generative design, simulations, and experiments into a continuous loop, to accelerating how new materials are designed, tested, and scaled. Discover our whitepaper now Fill out the form to get access now
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- [News](https://entalpic.ai/news/): Stay updated with Entalpic’s latest breakthroughs in AI-driven materials discovery. Explore company news, scientific publications, and industry insights driving innovation in sustainable industrial R&D.
- [Home](https://entalpic.ai/): Accelerating Chemistry & Materials R&D Accelerating Chemistry & Materials R&D with Artificial Intelligence Entalpic helps industries use cutting-edge AI research to discover new materials and chemistry, enabling smarter and more sustainable industrial processes. OUR PUBLICATIONS → We are building a generative AI platform to drive breakthrough discoveries and co-develop strong intellectual property for our customers.https://aqua-tapir-413535.hostingersite.com/wp-content/uploads/2025/03/ENTALPIC-Intro-V4.mp4 As pioneers in AI for Science, our mission is to master fundamental chemistry towards a more efficient and sustainable future. Value Proposition   An innovative approach built on 3 pillars AI Expertise We are a team of machine learning experts with a proven track record in
- [Terms & Conditions](https://entalpic.ai/terms-conditions/): MENTIONS LÉGALES Conformément aux dispositions de la loi n° 2004-575 du 21 juin 2004 pour la confiance en l’économie numérique, il est précisé aux utilisateurs du site Entalpic l’identité des différents intervenants dans le cadre de sa réalisation et de son suivi.   Edition du site Le présent site, accessible à l’URL www.entalpic.ai (le « Site »), est édité par : Entalpic, société au capital de 1000 euros, inscrite au R.C.S. de PARIS sous le numéro 928981596, dont le siège social est situé au 149 avenue du Maine 75014 Paris, représenté(e) par Mathieu Galtier dûment habilité(e)   Le numéro individuel


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