Results 141 to 150 of about 692,162 (247)

Recent Developments in DFTB+, a Software Package for Efficient Atomistic Quantum Mechanical Simulations. [PDF]

J Phys Chem A
Hourahine B, Berdakin M, Bich JA, Bonafé FP, Camacho C, Cui Q, Deshaye MY, Díaz Mirón G, Ehlert S, Elstner M, Frauenheim T, Goldman N, González León RA, van der Heide T, Irle S, Kowalczyk T, Kubař T, Lee IS, Lien-Medrano CR, Maryewski A, Melson T, Min SK, Niehaus T, Niklasson AMN, Pecchia A, Reuter K, Sánchez CG, Scheurer C, Sentef MA, Stishenko PV, Vuong VQ, Aradi B.   +31 more
europepmc   +1 more source

Critical behavior of Fredenhagen-Marcu string order parameters at topological phase transitions with emergent higher-form symmetries. [PDF]

npj Quantum Inf
Xu WT, Pollmann F, Knap M.
europepmc   +1 more source

Electrically Tunable Ultraflat Bands and π-Electron Magnetism in Graphene Nanoribbons. [PDF]

J Phys Chem Lett
Ma R, Tepliakov NV, Mostofi AA, Pizzochero M.   +3 more
europepmc   +1 more source

Quantum <i>κ</i>-Entropy: A Quantum Computational Approach. [PDF]

Entropy (Basel)
Ellinas D, Kaniadakis G.
europepmc   +1 more source

An Open Quantum System Interacting with an Interference Engineering Environment. [PDF]

Entropy (Basel)
Wang H, Wang J.
europepmc   +1 more source

The impact of quantum circuit architecture and hyperparameters on variational quantum algorithms exemplified in the electronic structure of the GaAs crystal. [PDF]

Sci Rep
Miháliková I, Krejčí M, Friák M.
europepmc   +1 more source

Unified Framework for Molecular Response Functions of Different Electronic-Structure Models. [PDF]

J Phys Chem A
Gao B, Ringholm M.
europepmc   +1 more source

Quantification of memory effects in topological two-band open quantum systems. [PDF]

Heliyon
Triviño H, Mesa F, Ballesteros VA.
europepmc   +1 more source

Theoretical Study on the Excitation Energy Transfer Dynamics in the Phycoerythrin PE555 Light-Harvesting Complex. [PDF]

ACS Omega
Cui X, Yan Y, Wei J.
europepmc   +1 more source

Non-Hermitian linear-response theory for spin diffusion in quantum systems. [PDF]

Sci Rep
Lima LS.
europepmc   +1 more source