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Current drug discovery processes can cost billions of dollars and usually take five to ten years. People have been researching and implementing various computational approaches to search for molecules and compounds from the chemical space, which can be on the order of 1060 molecules. One solution involves deep generative models, which are artificial intelligence models that learn from nonlinear data by modeling the probability distribution of chemical structures and creating similar data points from the trends it identifies. Aiming for faster runtime and greater robustness when analyzing high-dimensional data, we designed and implemented a Hybrid Quantum-Classical Generative Adversarial Network (QGAN) to synthesize molecules.

Additive manufacturing (AM) is transforming the production of complex metal parts, but challenges like internal cracking can arise, particularly in critical sectors such as aerospace and automotive. Traditional methods to assess cracking susceptibility are costly and time-consuming, prompting the use of machine learning (ML) for more efficient predictions. This study developed a multi-model ML pipeline that predicts solidification cracking susceptibility (SCS) more accurately by considering secondary alloy properties alongside composition, with Random Forest models showing the best performance, highlighting a promising direction for future research into SCS quantification.

Reinforcement learning (RL) is a form of machine learning that can be harnessed to develop artificial intelligence by exposing the intelligence to multiple generations of data. The study demonstrates how reply buffer reward mechanics can inform the creation of new pruning methods to improve RL efficiency.

Natural selection shapes the evolution of all organisms, and one question of interest is whether natural selection will reach a "stopping point": a stable, ideal, value for any particular trait. Madhan and Kanagavel tackle this question by building a computer simulation of trait evolution in organisms.

Oligodendrocytes are specialized brain cells that can change to cells that produce myelin and protect nerves. This study investigates the capacity for different extracellular matrix cues to induce this effect in culture.

Here, in an effort to identify alternatives to oil-based plastic, the authors sought to investigate the effects of plasticizers on the mechanical properties and chemical composition of gelatin bioplastic matrices. Through measurements of their tensile strength and elongation at break, along with FTIR spectroscopy, they identified 3% w/v polyethylene glycol film as having the best performance in their study..

Here, seeking to develop an understanding of the properties that determine the viability of piezoelectric flexible materials for applications in electro-mechanical sensors, the authors investigated the effects of the inclusion BaTiO₃ nanoparticles in electrospun Polyvinyledene Fluoride. They found the voltage generated had a piecewise linear dependence on the applied force at a few temperatures.

Polylactic acid (PLA) is a bio-based, compostable plastic that is comparable in cost to petroleum-based plastics. This study aims to evaluate the effects of UV treatment and mechanical chopping on the degradation of PLA. Based on their findings, the authors propose an alternative PLA degradation process that may be more time and energy efficient than current processes.

Bubbles! In this study, the authors investigate the effects that different materials, temperature, and distance have on the formation of water bubbles on the surface of copper and steel. They calculated mathematical relations based on the outcomes to better understand whether interstitial hydrogen present in the d-block metals form hydrogen bonds with the water bubbles to account for the structural and mechanical stability.

In this study, the authors investigate the effects that flagella have on E. coli's ability to adhere to glass surfaces.