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Johns Hopkins APL Develops Innovative Platform for Traumatic Brain Injury Research
A team of researchers from APL and the Johns Hopkins Bloomberg School of Public Health is developing next-generation brain organoid platforms to better understand the effects of mild blast-induced ...
AI predicts material properties using electron-level information without costly quantum mechanical computations
Researchers in Korea have developed an artificial intelligence (AI) technology that predicts molecular properties by learning ...
C&EN2d
Quantum Mechanical Fragment Methods Based on Partitioning Atoms or Partitioning Coordinates | Accounts of Chemical Research - ACS Publications
ConspectusThe development of more efficient and more accurate ways to represent reactive potential energy surfaces is a requirement for extending the simulation of large systems to more complex ...
C&EN6d
A Full Quantum Mechanical Approach Assessing the Chemical and Electromagnetic Effect in TERS | ACS Nano - ACS Publications
Our quantum mechanical approach starts from a high-level simulation of the sample molecule and incorporates the plasmonic tip into those simulations as accurately as possible. To properly account for ...