Quantum Chemistry
9,538 papers
Quantum Chemistry Research Context
This Quantum Articles category organizes published quantum research papers so readers can browse focused work by topic, source, and year.
Showing 5521-5532 of 9,538
A quantum phase transition in the one-dimensional water chain
Tobias Serwatka, Roger G. Melko, Anton Burkov, Pierre-Nicholas Roy
A Space-Efficient Universal and Multi-Operative Reversible Gate Design Based on Quantum-Dots
Saeid Seyedi, Nima Jafari Navimipour
A stochastic quantum Krylov protocol with double factorized Hamiltonians
Nicholas H. Stair, Cristian L. Cortes, Robert M. Parrish, Jeffrey Cohn, Mario Motta
A terahertz vibrational molecular clock with systematic uncertainty at the $10^{-14}$ level
K. H. Leung, B. Iritani, E. Tiberi, I. Majewska, M. Borkowski, R. Moszynski, T. Zelevinsky
A three-terminal heat engine based on resonant-tunneling multi-level quantum dots
Xing Liu, JingZhu Gao, Jizhou He
A universal programmable Gaussian Boson Sampler for drug discovery
Shang Yu, Zhi-Peng Zhong, Yuhua Fang, Raj B. Patel, Qing-Peng Li, Wei Liu, Zhenghao Li, Liang Xu, Steven Sagona-Stophel, Ewan Mer, Sarah E. Thomas, Yu Meng, Zhi-Peng Li, Yuan-Ze Yang, Zhao-An Wang, Nai-Jie Guo, Wen-Hao Zhang, Geoffrey K Tranmer, Ying Dong, Yi-Tao Wang, Jian-Shun Tang, Chuan-Feng Li, Ian A. Walmsley, Guang-Can Guo
Ab Initio Quantum Dynamics of Charge Carriers in Modern Photovoltaic Materials
O. V. Prezhdo
Ab Initio Spatial Phase Retrieval via Intensity Triple Correlations
Nolan Peard, Kartik Ayyer, Henry N. Chapman
Ab-initio Quantum Chemistry Through Computer Algebra
Ichio Kikuchi, Akihito Kikuchi
ACE2-derived peptides interact with the RBD domain of SARS-CoV-2 spike glycoprotein, disrupting the interaction with the human ACE2 receptor.
Souza PFN, Amaral JL, Bezerra LP, Lopes FES, Freire VN, Oliveira JTA, Freitas CDT
Activated Dissociation of H2 on Cu(001): The Role of Quantum Tunneling
Xiaofan Yu, Yangwu Tong, Yong Yang
Active site dynamics and catalytic mechanism in arabinan hydrolysis catalyzed by GH43 endo-arabinanase from QM/MM molecular dynamics simulation and potential energy surface.
Meelua W, Wanjai T, Thinkumrob N, Oláh J, Mujika JI, Ketudat-Cairns JR, Hannongbua S, Jitonnom J