Creative Commons (CC): This is a Creative Commons license. Attribution (BY): Credit must be given to the creator. This Account discusses recent progress and challenges in binding free energy ...

Energy efficiency is a transformative, low-cost solution that can fast-track access to affordable and secure energy and boost economic growth. Amid soaring power demand, driven in part by air ...

Purpose: To investigate the feasibility of proton therapy planning using stopping power ratio (SPR) maps directly generated from spectral CT raw data, and to perform a comparative evaluation of dose ...

Solvej Balle’s “On the Calculation of Volume” rethinks the familiar story of the endlessly repeating day. By Hilary Leichter Hilary Leichter is the author of the novels “Temporary” and “Terrace Story.

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I know that vasp and jdftx use different pseudopotentials, especially the implicit solvation model required in the constant-potential calculation of jdftx. Therefore, there are slight differences in ...

We show that chemically accurate potential energy surfaces (PESs) can be generated from quantum computers by measuring only the density along an adiabatic transition between different molecular ...

Washington — Overshadowed by the Biden administration’s new tailpipe emissions rule, the Department of Energy finalized changes last month to a little-known calculation that could dramatically impact ...

In the current study, Neosetophomone B (NSP–B) was investigated for its anti-cancerous potential using network pharmacology, quantum polarized ligand docking, molecular simulation, and binding free ...