Results 131 to 140 of about 4,451 (294)

Modeling of the Psychophysical Response Curves Using the Grand Canonical Ensemble in Statistical Physics

, 2007
International audienceThis paper aims to investigate the peripheral mechanism of taste perception by the use of the grand canonical ensemble in statistical physics.
Knani, S., Ben Lamine, A., Mathlouthi, Mohamed   +2 more
core   +1 more source

Immunoinformatics‐Based Design of a Multi‐Epitope Vaccine Targeting a Conserved Copper–Associated Protein in Neisseria gonorrhoeae

Biotechnology and Applied Biochemistry, EarlyView.
ABSTRACT Neisseria gonorrhoeae poses an urgent public health challenge due to rapidly increasing antimicrobial resistance and the absence of an effective vaccine. Targeting conserved bacterial pathways involved in essential physiological processes may provide new opportunities for vaccine antigen discovery.
Sinethemba H. Yakobi, Uchechukwu U. Nwodo   +1 more
wiley   +1 more source

BCS ansatz for superconductivity in the canonical ensemble and the Pauli exclusion principle

, 2012
International audienceThe usual formulation of the BCS ansatz for superconductivity in the grand canonical ensemble makes the handling of the Pauli exclusion principle between paired electrons straightforward.
Combescot, M., Zhu, G., Betbeder-Matibet, O.   +2 more
core   +1 more source

Company Location, Business Environment and Digital Maturity as Drivers of Environmental Innovation in Business

Business Strategy and the Environment, EarlyView.
ABSTRACT Environmental protection has emerged as a global priority in the contemporary context. As pivotal actors in the transition towards sustainable development, companies play a crucial role through the adoption of environmental innovations. This study investigates how organisational characteristics—specifically geographical location, business ...
Carlos de las Heras‐Rosas, Juan Herrera‐Ballesteros, Pedro Mota Veiga, Rui Silva Rodrigues   +3 more
wiley   +1 more source

Dynamics of quantum dissipation systems interacting with fermion and boson grand canonical bath ensembles: Hierarchical equations of motion approach

, 2007
A hierarchical equations of motion formalism for a quantum dissipation system in a grand canonical bath ensemble surrounding is constructed on the basis of the calculus-on-path-integral algorithm, together with the parametrization of arbitrary non ...
YiJing Yan, Jin, JS, Hong Kong Univ Sci & Technol, Dept Chem, Kowloon, Hong Kong, Peoples R China. 电子邮箱地址: jinjs@ust.hk, Cui, Ping, Li, XQ (Li, Xin-Qi), Welack, S (Welack, Sven), Xu, Rui Xue, Xin-Qi Li, Xu, RX (Xu, Rui-Xue), Yan, YJ (Yan, YiJing), Jin, Jinshuang, Cui, P (Cui, Ping), yyan@ust.hk, Yan, Yi Jing, Li, Xin Qi, Ping Cui, Jin, JS (Jin, Jinshuang), Rui-Xue Xu, JunYan Luo, Welack, Sven, Jinshuang Jin, Luo, Jun Yan, Luo, JY (Luo, JunYan), Sven Welack   +22 more
core   +1 more source

Precision Chemistry for Protein Lysine Modification

Chemistry – A European Journal, EarlyView.
Selective modification of lysine residues is challenging due to their similar intrinsic reactivity. Inspired by enzymatic recognition, ligand‐guided electrophiles enable site‐selective labeling and functionalization, while ligand‐guided catalyses achieve regioselective installation of bio‐relevant post‐translational modifications.
Mayu Onoda, Motomu Kanai
wiley   +1 more source

Data‐driven simulation of crude distillation using Aspen HYSYS and comparative machine learning models

The Canadian Journal of Chemical Engineering, EarlyView.
Integrated Aspen HYSYS–machine learning framework for predicting product yields and quality variables. Abstract Crude oil refining is a complex process requiring precise modelling to optimize yield, quality, and efficiency. This study integrates Aspen HYSYS® simulations with machine learning techniques to develop predictive models for key refinery ...
Aldimiro Paixão Domingos, Heleno Bispo, Thiago Vaz da Costa, Sérgio Mauro da Silva Neiro   +3 more
wiley   +1 more source

Energy Landscapes in Chemical Reactions and Transport

ChemPhysChem, Volume 26, Issue 6, March 15, 2025.
Kinetics/dynamics of chemical reactivity and transport of chemical species in a solid are both determined by the energy landscape in which they take place. Discussing common grounds but also distinct differences may help in advancing the understanding in both fields.
Karl‐Michael Weitzel
wiley   +1 more source

The Virial Expansion of the Hydrogen Equation of State in Comparison to PIMC Simulations: The Quasiparticle Concept, IPD, and Ionization Degree

Contributions to Plasma Physics, EarlyView.
ABSTRACT The properties of plasmas in the low‐density limit are described by virial expansions. Analytical expressions are known for the lowest virial coefficients from Green's function approaches. Recently, accurate path‐integral Monte Carlo (PIMC) simulations were performed for the hydrogen plasma at low densities by Filinov and Bonitz (Phys. Rev.
Gerd Röpke, Chengliang Lin, W. Ebeling, H. Reinholz   +3 more
wiley   +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