30 citations · 30 across the 3 of their papers we have counts for
3 papers
Closed-Loop Molecular Design with Calibrated Deference
Newman Cheng, Gordon Broadbent, Jason Dong +11
We present Cognitive Loop via In-Situ Optimization (CLIO), an agent that couples a continuously-updated belief-state graph with a recursive plan-then-act loop. The result is a reas…
SimPoly: Simulation of Polymers with Machine Learning Force Fields Derived from First Principles
Gregor N. C. Simm, Jean Hélie, Hannes Schulz +13
Polymers are a versatile class of materials with widespread industrial applications. Advanced computational tools could revolutionize their design, but their complex, multi-scale n…
AI-guided inverse design and discovery of recyclable vitrimeric polymers
Yiwen Zheng, Prakash Thakolkaran, Agni K. Biswal +6
Vitrimer is a new, exciting class of sustainable polymers with the ability to heal due to their dynamic covalent adaptive network that can go through associative rearrangement reac…