C&EN

Structure−Activity Relationships in Gold Nanoparticle Dimers and Trimers for Surface-Enhanced Raman Spectroscopy

Department of Chemistry, Northwestern University, 2145 Sheridan Road, Evanston, Illinois 60208, and Oxonica Materials Incorporated, 325 East Middlefield Road, Mountain View, California 94043 Article ...
Frontiers

Editorial: Design and mechanical failure of deep-sea pressure structures

Deep-sea pressure structures, including submersibles, deep-sea space stations and delivery platforms, underwater gliders, subsea pipelines, ocean platforms, electronic cabins, etc., play an important ...
C&EN

Accelerated Convergence of Contracted Quantum Eigensolvers through a Quasi-Second-Order, Locally Parameterized Optimization

Creative Commons (CC): This is a Creative Commons license. Attribution (BY): Credit must be given to the creator. Article Views are the COUNTER-compliant sum of full text article downloads since ...
PNAS

Deep learning the slow modes for rare events sampling

The use of enhanced sampling simulations is essential in the study of complex physical, chemical, and biological processes. We devise a procedure that, by combining machine learning and biased ...
Frontiers

Atomic Nuclei From Quantum Monte Carlo Calculations With Chiral EFT Interactions

Quantum Monte Carlo methods are powerful numerical tools to accurately solve the Schrödinger equation for nuclear systems, a necessary step to describe the structure and reactions of nuclei and ...