Quantum Chemistry
9,662 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 1489-1500 of 9,662
General linear correction method for DFT+X energy: application to U-M (M=Al, Ga, In) alloys under high pressure
X. L. Pan, H. X. Song, Y. Sun, F. C. Wu, H. Wang, Y. F. Wang, Y. Chen, X. R. Chen, Hua Y. Geng
Generalizable growth of 2D twisted transition metal dichalcogenide heterostructures under non-equilibrium thermodynamic conditions.
Qin Q, Li X, Li W, Chen W, Zhang S, Chen S, Luo Z, Hua Z, Zhang L, Xi W, Xie W, Shen D, Li B, Liu Y, Li J, Wu R, Duan X
Generalized Eigenvalue Problem in Subspace-Based Excited-State Methods for Quantum Computers.
Kwao PF, Poyyapakkam Sundar S, Gupt B, Asthana A.
Generating extended foldamer dye stacks and unravelling their evolving exciton dynamics.
Ernst L, Hong Y, Song H, Zhang W, Lass E, Kim D, Würthner F
Generative AI-driven enzyme engineering unlocks sustainable valorization of broccoli waste into sulforaphane.
Luo H, Guo S, Bao Y, Lu S, Lv F, Zhu P
Generative Learning for Quantum Measurement Design
Jun Dai, Olivier Nahman-Lévesque, Guillaume Rabusseau, Hong-Ye Hu, Cunlu Zhou
Genomic approaches to accelerate American chestnut restoration.
Westbrook JW, Malukiewicz J, Zhang Q, Sreedasyam A, Jenkins JW, Lakoba V, Fitzsimmons S, Van Clief J, Collins K, Hoy S, Stark C, Graboski L, Jenkins E, Saielli TM, Jarrett BT, Wigfield LJ, Kerwien LM, Wilbur C, Sandercock AM, Craddock JH, Keriö S, Zhebentyayeva T, Fan S, Thomas AM, Abbott AG, Nelson CD, Xia X, McKenna JR, Kell C, Williams M, Boston L, Plott C, Carle F, Swatt J, Ostroff J, Jeffers SN, McKeever K, Smith E, Ellis TJ, James JB, Sisco P, Newhouse A, Carlson E, Powell WA, Hebard FV, Scrivani J, Heverly C, Cipollini M, Clark B, Evans E, Levine B, Carlson JE, Goodstein D, Orebaugh J, Yang ZK, Martin MZ, Tannous J, Rush TA, Engle NL, Tschaplinski TJ, Grimwood J, Schmutz J, Holliday JA, Lovell JT
Geo-ADAPT-VQE: Quantum Information Metric-Aware Circuit Optimization for Quantum Chemistry
Mohammad Aamir Sohail, Toshiaki Koike-Akino
Geometric Analysis of Variational Quantum Eigensolver
Zhen Qin
Geometric control of Fe(I) intermediates in CO(2) photoreduction by tetrahedral tripodal phosphine complexes.
Bento MA, Bandeira NAG, Miras HN, Realista S, Gleeson M, Devid EJ, Brandão P, Rocha J, Martinho PN
Geometric mechanisms enabling spin- and enantio-sensitive observables in one photon ionization of chiral molecules
Philip Caesar M. Flores, Stefanos Carlström, Serguei Patchkovskii, Misha Ivanov, Andres F. Ordonez, Olga Smirnova
Geometric Phase Effect in Thermodynamic Properties and in the Imaginary-Time Multi-Electronic-State Path Integral Formulation
Yu Zhai, Youhao Shang, Jian Liu