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Feb 15, 2024 � In this work, we present a RL method, based on Q-learning, for the structural determination of adsorbate@substrate models in silico.
Jun 5, 2024 � In this work, we present a RL method, based on Q-learning, for the structural determination of adsorbate@substrate models in silico.
Feb 15, 2024 � In this work, we present a RL method, based on Q-learning, for the structural determination of adsorbate@substrate models in silico.
Apr 19, 2024 � In this work, we present a RL method, based on Q‐learning, for the structural determination of adsorbate@substrate models in silico.
The proposed RL method is implemented in an early version of the reinforcement learning software for materials design and discovery (RLMaterial), developed in�...
In this work, a reinforcement learning method for adsorbate@substrate structural determination was developed and implemented in the RLMaterial code. The�...
The RL method was applied for the structural determination of (i) the amino acid glycine and (ii) 2-amino-acetaldehyde, both interacting with a boron nitride (�...
Jan 22, 2024 � Our paper "Reinforcement Learning (RL) for in Silico Determination of Adsorbate—Substrate Structures" was ACCEPTED for publication in the�...
An artificial intelligence (AI) approach based on an active learning (AL) method for adsorption optimization on the surface of materials and marks another�...
In the current work, we have developed an artificial intelligence (AI) approach based on an active learning (AL) method for adsorption optimization on the�...