Results 121 to 130 of about 1,795 (184)

Constant pH Simulation with FMM Electrostatics in GROMACS. (B) GPU Accelerated Hamiltonian Interpolation. [PDF]

J Chem Theory Comput
Kohnke B, Briand E, Kutzner C, Grubmüller H.   +3 more
europepmc   +1 more source

Hemoglobin concentration sensing via a high-Q-factor Q-BIC-excited heterogeneous dielectric terahertz metasurface biosensor. [PDF]

iScience
Liu L, Wang Z, Shi W, Zhao G.
europepmc   +1 more source

Solving acoustic scattering problems by the isogeometric boundary element method. [PDF]

Eng Comput
Dölz J, Harbrecht H, Multerer M.
europepmc   +1 more source

The Enduring Relevance of Semiempirical Quantum Mechanics. [PDF]

J Phys Chem A
Moussa JE.
europepmc   +1 more source

Development of a novel machine learning-based adaptive resampling algorithm for nuclear data processing. [PDF]

Sci Rep
Hashemi A, Macián-Juan R, Ohlerich M.
europepmc   +1 more source

FaXToR: the hard X-ray micro-tomography beamline at the Spanish synchrotron ALBA. [PDF]

J Synchrotron Radiat
Patera A, Cova F, Cova F, Bouffetier V, Ribo' Mor L, Wohl S, Jover Manas GV, Organista C, Nicolas J, Mittone A.   +9 more
europepmc   +1 more source

On the flexibility of the multipole model refinement. A DFT benchmark study of the tetrakis(μ-acetato)diaquadicopper model system. [PDF]

IUCrJ
Hlinčík A, Fülöp T, Herich P, Kožíšek J, Lušpai K, Bučinský L.   +5 more
europepmc   +1 more source

Arbitrary polarization control with a segmented APPLE-II undulator. [PDF]

J Synchrotron Radiat
Inaba K, Ohtsubo Y, Agui A, Kimura H, Sakuraba K, Horiba K, Kitamura M, Obara S, Nakatani T, Takeuchi T, Hosaka Y, Takahasi M.   +11 more
europepmc   +1 more source

TinkerModeller: An Efficient Tool for Building Biological Systems in Tinker Simulations. [PDF]

J Chem Theory Comput
Wang X, Liu H, Li Y, Li J, Li WL.
europepmc   +1 more source

Reconfigurable modular origami for tunable 2D symmetry groups. [PDF]

Sci Adv
Liu W, Ren Q, Wang Y, Zhang Z, Wang X, Liang Y, Huang H, Ma J, Jiang H, Chen Y.   +9 more
europepmc   +1 more source