Abstract:Accelerated materials discovery is critical for addressing global challenges. However, developing new laboratory workflows relies heavily on real-world experimental trials, and this can hinder scalability because of the need for numerous physical make-and-test iterations. Here we present MATTERIX, a multiscale, graphics processing unit-accelerated robotic simulation framework designed to create high-fidelity digital twins of chemistry laboratories, thus accelerating workflow development. This multiscale digital twin simulates robotic physical manipulation, powder and liquid dynamics, device functionalities, heat transfer and basic chemical reaction kinetics. This is enabled by integrating realistic physics simulation and photorealistic rendering with a modular graphics processing unit-accelerated semantics engine, which models logical states and continuous behaviors to simulate chemistry workflows across different levels of abstraction. MATTERIX streamlines the creation of digital twin environments through open-source asset libraries and interfaces, while enabling flexible workflow design via hierarchical plan definition and a modular skill library that incorporates learning-based methods. Our approach demonstrates sim-to-real transfer in robotic chemistry setups, reducing reliance on costly real-world experiments and enabling the testing of hypothetical automated workflows in silico. The project website is available at https://accelerationconsortium.github.io/Matterix/ .
Abstract:As large language models (LLMs) continue to improve in reasoning and decision-making, there is a growing need for realistic and interactive environments where their abilities can be rigorously evaluated. We present VirtualEnv, a next-generation simulation platform built on Unreal Engine 5 that enables fine-grained benchmarking of LLMs in embodied and interactive scenarios. VirtualEnv supports rich agent-environment interactions, including object manipulation, navigation, and adaptive multi-agent collaboration, as well as game-inspired mechanics like escape rooms and procedurally generated environments. We provide a user-friendly API built on top of Unreal Engine, allowing researchers to deploy and control LLM-driven agents using natural language instructions. We integrate large-scale LLMs and vision-language models (VLMs), such as GPT-based models, to generate novel environments and structured tasks from multimodal inputs. Our experiments benchmark the performance of several popular LLMs across tasks of increasing complexity, analyzing differences in adaptability, planning, and multi-agent coordination. We also describe our methodology for procedural task generation, task validation, and real-time environment control. VirtualEnv is released as an open-source platform, we aim to advance research at the intersection of AI and gaming, enable standardized evaluation of LLMs in embodied AI settings, and pave the way for future developments in immersive simulations and interactive entertainment.