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Quantum chemistry

Automated fitting of transition state force fields for biomolecular simulations

Taylor R. Quinn, Himani N. Patel, [ ... ], Olaf Wiest

Sampling electronic structure quadratic unconstrained binary optimization problems (QUBOs) with Ocean and Mukai solvers

Alexander Teplukhin, Brian K. Kendrick, [ ... ], Pavel A. Dub

mRNA codon optimization with quantum computers

Dillion M. Fox, Kim M. Branson, Ross C. Walker

QuASeR: Quantum Accelerated de novo DNA sequence reconstruction

Aritra Sarkar, Zaid Al-Ars, Koen Bertels

Photocatalytic degradation of dimethoate in Bok choy using cerium-doped nano titanium dioxide

Xiangying Liu, Yu Li, [ ... ], Lianyang Bai

Progressive derivation of serially homologous neuroblast lineages in the gnathal CNS of Drosophila

Christof Rickert, Karin Lüer, Olaf Vef, Gerhard M. Technau

Calculated thickness dependent plasmonic properties of gold nanobars in the visible to near-infrared light regime

Pijush K. Ghosh, Desalegn T. Debu, David A. French, Joseph B. Herzog

Electron Transport in a Dioxygenase-Ferredoxin Complex: Long Range Charge Coupling between the Rieske and Non-Heme Iron Center

Wayne K. Dawson, Ryota Jono, Tohru Terada, Kentaro Shimizu

Physicochemical and Nonlinear Optical Properties of Novel Environmentally Benign Heterocyclic Azomethine Dyes: Experimental and Theoretical Studies

S. M. Afzal, M. A. N. Razvi, [ ... ], Abdullah M. Asiri

Ferromagnetic Ground States in Face-Centered Cubic Hubbard Clusters

T. X. R. Souza, C. A. Macedo

Optimizing Imaging Conditions for Demanding Multi-Color Super Resolution Localization Microscopy

Leila Nahidiazar, Alexandra V. Agronskaia, [ ... ], Kees Jalink

Time-Domain Simulation of Three Dimensional Quantum Wires

Dennis M. Sullivan, Sean Mossman, Mark G. Kuzyk

Molecular Dynamics of Channelrhodopsin at the Early Stages of Channel Opening

Mizuki Takemoto, Hideaki E. Kato, [ ... ], Osamu Nureki

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