Related papers: On Kinetic Constraints That Catalysis Imposes on E…
When the entities undergoing a chemical reaction are not available simultaneously, the classical rate equation of a reaction or, alternatively for the evolution of a population, should be extended by including non-Markovian memory effects.…
Recent advances in classical density functional theory are combined with stochastic process theory and rare event techniques to formulate a theoretical description of nucleation, including crystallization, that can predict nonclassical…
We study the synthesis problem for systems with a parameterized number of processes. As in the classical case due to Church, the system selects actions depending on the program run so far, with the aim of fulfilling a given specification.…
The general theory of a complex system of nonlinear chemical reactions is a primary language of chemistry that includes chemical engineering and cellular biochemistry. Its significance as an analytical framework, however, has not been fully…
The physics of activated escape of objects out of a metastable state plays a key role in diverse scientific areas involving chemical kinetics, diffusion and dislocation motion in solids, nucleation, electrical transport, motion of flux…
Through an appropriate election of the molecular orbital basis, we show analytically that the molecular dissociation occurring in a Heyrovsky reaction can be interpreted as a Quantum Dynamical Phase Transition, i.e., an analytical…
Materials undergoing both phase separation and chemical reactions (defined here as all processes that change particle type or number) form an important class of non-equilibrium systems. Examples range from suspensions of self-propelled…
The progress of the successive rounds of catalytic conversion of substrates into product(s) by a single enzyme is characterized by the distribution of turnover times. Establishing the most general form of dependence of this distribution on…
We consider the patterns of collective motion emerging when many aligning, self-propelling units move in two dimensions while interacting through a repulsive potential and are also subject to delays and random perturbations. In this…
The concept of entanglement was originally introduced to explain correlations existing between two spatially separated systems, that cannot be described using classical ideas. Interestingly, in recent years, it has been shown that similar…
The microstructure of materials evolves through chemical reactions and mechanical stress, often strongly coupled in phenomena such as pressure solution or crystallization pressure. This article presents MASKE: a simulator to address the…
We develop a theoretical framework for the diffusion of a single unconstrained species of atoms on a crystal lattice that provides a generalization of the classical theories of atomic diffusion and diffusion-induced phase separation to…
Synthesis remains a challenge for advancing materials science. A key focus of this challenge is how to enable selective synthesis, particularly as it pertains to metastable materials. This perspective addresses the question: how can…
The nucleation process under different external conditions is considered. It is shown that the duration of this process can be connected with the microscopic corrections to the free energy of the critical embryo. Connection between…
We study how stochastic resetting affects first-passage processes in systems of many interacting particles. While resetting is well understood for single-particle dynamics, its consequences for collective behavior remain less clear. We…
Step pattern stability of the vicinal surfaces during growth was analyzed using various surface kinetic models. It was shown that standard analysis of the vicinal surfaces provides no indication on the possible step coalescence and…
We show that entanglement-assisted transformations of bipartite entangled states can be more efficient than catalysis [D. Jonathan and M. B. Plenio, Phys. Rev. Lett. 83, 3566 (1999)}, i.e., given two incomparable bipartite states not only…
Living systems are forced away from thermodynamic equilibrium by exchange of mass and energy with their environment. In order to model a biochemical reaction network in a non-equilibrium state one requires a mathematical formulation to…
Enzymes are nano-scale machines that have evolved to drive chemical reactions out of equilibrium in the right place at the right time. Given the complexity and specificity of enzymatic function, bottom-up design of enzymes presents a…
Enzymes are on the front lines of evolution. All living organisms rely on highly efficient, specific enzymes for growth, sustenance, and reproduction; and many diseases are a consequence of a mutation on an enzyme that affects its catalytic…