Results 261 to 270 of about 116,934 (311)

Understanding the underlying language code that governs the π-π non-covalent interactions between proteins and DNA. [PDF]

Sci Rep
Riera Aroche R, Ortiz García YM, Riera Leal L, Machado Sulbarán AC, Riera Leal A.   +4 more
europepmc   +1 more source

Kinetic Contribution to the Arbitrary Order Odd Frequency Moments of the Dynamic Structure Factor

Contributions to Plasma Physics, EarlyView.
ABSTRACT An exact expression is derived for the kinetic contribution to the odd (arbitrary order) frequency moments of the dynamic structure factor via a finite summation that features averages of even (all lower orders) powers of the momentum over the exact momentum distribution.
Panagiotis Tolias, Tobias Dornheim, Jan Vorberger   +2 more
wiley   +1 more source

Scalable modeling of multi-spin ensembles in SABRE hyperpolarization: a symmetry-based framework for zero and ultralow fields. [PDF]

Magn Reson (Gott)
Markelov D, Snadin A, Kiryutin A, Barskiy D, Yurkovskaya A.   +4 more
europepmc   +1 more source

Reweighting Scheme for the Calculation of Grand‐Canonical Expectation Values in Quantum Monte Carlo Simulations With a Fermion Sign Problem

Contributions to Plasma Physics, EarlyView.
ABSTRACT Ab initio path integral Monte Carlo (PIMC) simulations constitute the gold standard for the estimation of a broad range of equilibrium properties of a host of interacting quantum many‐body systems spanning a broad range of conditions from ultracold atoms to warm dense quantum plasmas.
Paul Hamann, Jan Vorberger, Tobias Dornheim   +2 more
wiley   +1 more source

Accurate simulations of magnetic excitations in the neutron simulation package <i>McStas</i>. [PDF]

J Appl Crystallogr
Schack SB, Krighaar KML, Lenander EY, Lefmann K.   +3 more
europepmc   +1 more source

Ultrafast Transitions in X‐Ray Irradiated Solids

Contributions to Plasma Physics, EarlyView.
ABSTRACT In this review, we present current developments on modeling ultrafast transitions in solids triggered by intense, atto‐ to femtosecond pulses from X‐ray free electron lasers. This specific irradiation regime requires dedicated simulation tools based on theoretical and computational methods, involving the elements of classical and quantum ...
Sebastião Antunes, Konrad J. Kapcia, Vladimir Lipp, Beata Ziaja   +3 more
wiley   +1 more source

Analytical solution of driven time-dependent mesoscopic circuits. [PDF]

Sci Rep
Ma J, Yao Y, Liu R, Qiu F, Zhang X, Yan Z.   +5 more
europepmc   +1 more source

A Simple Understanding of Quantum Electrodynamics Using Bohmian Trajectories: Detecting Non-Ontic Photons. [PDF]

Entropy (Basel)
Seoane JJ, Benali A, Oriols X.
europepmc   +1 more source

Reliable uncertainty estimates in deep learning with efficient Metropolis-Hastings algorithms. [PDF]

Nat Commun
Schmal M, Mäder P.
europepmc   +1 more source

<i>n</i>-Mode Quantized Anharmonic Vibronic Hamiltonians for Matrix Product State Dynamics. [PDF]

J Chem Theory Comput
Barandun V, Glaser N, Reiher M.
europepmc   +1 more source