A review of laser-induced crystallization from solution
Crystallization abounds in nature and industrial practice. A plethora of indispensable
products ranging from agrochemicals and pharmaceuticals to battery materials are …
products ranging from agrochemicals and pharmaceuticals to battery materials are …
Solute precipitate nucleation: A review of theory and simulation advances
This chapter focuses on a frontier for molecular simulation: nucleation of solute precipitates
from solution. The chapter refers to simulations of solute precipitate nucleation with a fixed …
from solution. The chapter refers to simulations of solute precipitate nucleation with a fixed …
Non-photochemical laser-induced nucleation
Non-photochemical laser-induced nucleation (NPLIN) is the formation of a new phase from
a metastable phase by the action of light on matter. Using millijoule, nanosecond laser …
a metastable phase by the action of light on matter. Using millijoule, nanosecond laser …
[HTML][HTML] NaCl nucleation from brine in seeded simulations: Sources of uncertainty in rate estimates
This work reexamines seeded simulation results for NaCl nucleation from a supersaturated
aqueous solution at 298.15 K and 1 bar pressure. We present a linear regression approach …
aqueous solution at 298.15 K and 1 bar pressure. We present a linear regression approach …
Carbohydrate–protein interactions that drive processive polysaccharide translocation in enzymes revealed from a computational study of cellobiohydrolase …
Translocation of carbohydrate polymers through protein tunnels and clefts is a ubiquitous
biochemical phenomenon in proteins such as polysaccharide synthases, glycoside …
biochemical phenomenon in proteins such as polysaccharide synthases, glycoside …
Reaction coordinates, one-dimensional Smoluchowski equations, and a test for dynamical self-consistency
We propose a method for identifying accurate reaction coordinates among a set of trial
coordinates. The method applies to special cases where motion along the reaction …
coordinates. The method applies to special cases where motion along the reaction …
Pharmaceutical digital design: from chemical structure through crystal polymorph to conceptual crystallization process
A workflow for the digital design of crystallization processes starting from the chemical
structure of the active pharmaceutical ingredient (API) is a multistep, multidisciplinary …
structure of the active pharmaceutical ingredient (API) is a multistep, multidisciplinary …
[HTML][HTML] Communication: Bubbles, crystals, and laser-induced nucleation
Short intense laser pulses of visible and infrared light can dramatically accelerate crystal
nucleation from transparent solutions; previous studies invoke mechanisms that are only …
nucleation from transparent solutions; previous studies invoke mechanisms that are only …
Characterization of a dynamic string method for the construction of transition pathways in molecular reactions
We explore the theoretical foundation of different string methods used to find dominant
reaction pathways in high-dimensional configuration spaces. Pathways are assessed by the …
reaction pathways in high-dimensional configuration spaces. Pathways are assessed by the …
Using optical tweezing to control phase separation and nucleation near a liquid–liquid critical point
About 20 years ago, it was shown that lasers can nucleate crystals in super-saturated
solutions and might even be able to select the polymorph that crystallises. However, no …
solutions and might even be able to select the polymorph that crystallises. However, no …