Simulations of inorganic–bioorganic interfaces to discover new materials: insights, comparisons to experiment, challenges, and opportunities
H Heinz, H Ramezani-Dakhel - Chemical Society Reviews, 2016 - pubs.rsc.org
Natural and man-made materials often rely on functional interfaces between inorganic and
organic compounds. Examples include skeletal tissues and biominerals, drug delivery …
organic compounds. Examples include skeletal tissues and biominerals, drug delivery …
Beyond Boltzmann–Gibbs–Shannon in physics and elsewhere
C Tsallis - Entropy, 2019 - mdpi.com
The pillars of contemporary theoretical physics are classical mechanics, Maxwell
electromagnetism, relativity, quantum mechanics, and Boltzmann–Gibbs (BG) statistical …
electromagnetism, relativity, quantum mechanics, and Boltzmann–Gibbs (BG) statistical …
Accurate force field parameters and pH resolved surface models for hydroxyapatite to understand structure, mechanics, hydration, and biological interfaces
Mineralization of bone and teeth involves interactions between biomolecules and
hydroxyapatite. Associated complex interfaces and processes remain difficult to analyze at …
hydroxyapatite. Associated complex interfaces and processes remain difficult to analyze at …
Supersonic voidions in 2D Morse lattice
IA Shepelev, SV Dmitriev, AA Kudreyko… - Chaos, Solitons & …, 2020 - Elsevier
Dynamics of M× 1-crowdion clusters (M= 1, 2 or 3) and vacancy clusters is analyzed in 2D
triangular lattice with Morse interactions. Topological defects are created in the lattice by …
triangular lattice with Morse interactions. Topological defects are created in the lattice by …
[HTML][HTML] Extended uncertainty from first principles
A translation operator acting in a space with a diagonal metric is introduced to describe the
motion of a particle in a quantum system. We show that the momentum operator and, as a …
motion of a particle in a quantum system. We show that the momentum operator and, as a …
A formally exact theory to construct nonreactive forcefields using linear regression to optimize bonded parameters
TA Manz - RSC advances, 2024 - pubs.rsc.org
This article derives theoretical foundations of force field functional theory (FFFT). FFFT
studies topics related to the functional representation of nonreactive forcefields to achieve …
studies topics related to the functional representation of nonreactive forcefields to achieve …
Implementing reactivity in molecular dynamics simulations with harmonic force fields
The simulation of chemical reactions and mechanical properties including failure from atoms
to the micrometer scale remains a longstanding challenge in chemistry and materials …
to the micrometer scale remains a longstanding challenge in chemistry and materials …
A position-dependent mass harmonic oscillator and deformed space
BG da Costa, EP Borges - Journal of Mathematical Physics, 2018 - pubs.aip.org
We consider canonically conjugated generalized space and linear momentum operators x^
q and p^ q in quantum mechanics, associated with a generalized translation operator which …
q and p^ q in quantum mechanics, associated with a generalized translation operator which …
[图书][B] Mathematical Foundations of Nonextensive Statistical Mechanics
S Umarov, T Constantino - 2022 - books.google.com
The book is devoted to the mathematical foundations of nonextensive statistical mechanics.
This is the first book containing the systematic presentation of the mathematical theory and …
This is the first book containing the systematic presentation of the mathematical theory and …
κ-Deformed quantum and classical mechanics for a system with position-dependent effective mass
We present the quantum and classical mechanics formalisms for a particle with a position-
dependent mass in the context of a deformed algebraic structure (named κ-algebra) …
dependent mass in the context of a deformed algebraic structure (named κ-algebra) …