Results 201 to 210 of about 77,334 (248)

Recent Developments in Amber Biomolecular Simulations. [PDF]

J Chem Inf Model
Case DA, Cerutti DS, Cruzeiro VWD, Darden TA, Duke RE, Ghazimirsaeed M, Giambaşu GM, Giese TJ, Götz AW, Harris JA, Kasavajhala K, Lee TS, Li Z, Lin C, Liu J, Miao Y, Salomon-Ferrrer R, Shen J, Snyder R, Swails J, Walker RC, Wang J, Wu X, Zeng J, Cheatham Iii TE, Roe DR, Roitberg A, Simmerling C, York DM, Nagan MC, Merz KM.   +30 more
europepmc   +1 more source

TBHubbard: tight-binding and extended Hubbard model dataset for metal-organic frameworks. [PDF]

Sci Data
Costa Carvalho P, Zipoli F, Duriez AC, Barroca MA, Neumann Barros Ferreira R, Jones B, Wunsch B, Steiner M.   +7 more
europepmc   +1 more source

Compact quantum dot models for analog microwave co-simulation. [PDF]

npj Quantum Inf
Peri L, Gomez-Saiz A, Ford CJB, Gonzalez-Zalba MF.   +3 more
europepmc   +1 more source

Cavity Born-Oppenheimer Coupled Cluster Theory: Toward Electron Correlation in the Vibrational Strong Light-Matter Coupling Regime. [PDF]

J Chem Theory Comput
Fischer EW.
europepmc   +1 more source

The fine effects of high magnetic fields on hyperfine shifts. [PDF]

Chem Sci
Fiorucci L, Lang L, Tierney DL, Botta M, Parigi G, Luchinat C, Ravera E.   +6 more
europepmc   +1 more source

NeuroQ: Quantum-Inspired Brain Emulation. [PDF]

Biomimetics (Basel)
Vallverdú J, Rius G.
europepmc   +1 more source

Entropy, Fidelity, and Entanglement During Digitized Adiabatic Quantum Computing to Form a Greenberger-Horne-Zeilinger (GHZ) State. [PDF]

Entropy (Basel)
Jansen ND, Hunt KLC.
europepmc   +1 more source

Observation of constructive interference at the edge of quantum ergodicity. [PDF]

Nature
Google Quantum AI and Collaborators.
europepmc   +1 more source

Modeling the impact of climate change on dengue transmission dynamics in Dire Dawa, Afar, and Somali, Ethiopia: an African regional perspective. [PDF]

Sci Rep
Lemma AG, Tilahun GT, Bekele BT.
europepmc   +1 more source

No-Signaling in Steepest Entropy Ascent: A Nonlinear, Non-Local, Non-Equilibrium Quantum Dynamics of Composite Systems Strongly Compatible with the Second Law. [PDF]

Entropy (Basel)
Ray RK, Beretta GP.
europepmc   +1 more source