Machine learning-assisted search for novel coagulants: when machine learning can be efficient even if data availability is low [PDF]
J. Comput. Chem. 45, No. 13, 937-952 (2024)Design of new drugs is a challenging process: a candidate molecule should satisfy multiple conditions to act properly and make the least side-effect -- perfect candidates selectively attach to and influence only targets, leaving off-targets intact. The amount of experimental data about various properties of molecules constantly grows, promoting data ...
arxiv +1 more source
Mass-conserving weak solutions to Oort-Hulst-Safronov coagulation equation with singular rates [PDF]
arXiv, 2020 Existence of global weak solutions to the continuous Oort-Hulst-Safronov (OHS) coagulation equation is investigated for coagulation kernels capturing a singularity near zero and growing linearly at infinity. The proof mainly relies on a relation, between classical Smoluchowski coagulation equation (SCE) and OHS coagulation equation, which is introduced
arxiv
Instantaneous gelation and nonexistence for the Oort-Hulst-Safronov coagulation model [PDF]
arXiv, 2022 The possible occurrence of instantaneous gelation to Oort-Hulst-Safronov (OHS) coagulation equation is investigated for a certain class of unbounded coagulation kernels. The existence of instantaneous gelation is confirmed by showing the nonexistence of mass-conserving weak solutions.
arxiv
Uniqueness of measure solutions for multi-component coagulation equations [PDF]
arXiv, 2023 We prove uniqueness of measure solutions for a multi-component version of Smoluchowski's coagulation equation. The result is valid for a broad range of coagulation kernels and allows to include a source term. The classical coagulation equation is also covered as a special case.
arxiv
The Spitzer Survey of Interstellar Clouds in the Gould Belt. IV. Lupus V and VI Observed with IRAC and MIPS [PDF]
, 2011 We present Gould's Belt (GB) Spitzer IRAC and MIPS observations of the Lupus V and VI clouds and discuss them in combination with near-infrared (2MASS) data. Our observations complement those obtained for other Lupus clouds within the frame of the Spitzer "Core to Disk" (c2d) Legacy Survey.
arxiv +1 more source
Dust growth in the interstellar medium: How do accretion and coagulation interplay? [PDF]
, 2012 Dust grains grow in interstellar clouds by accretion and coagulation. In this paper, we focus on these two grain growth processes and numerically investigate how they interplay to increase the grain radii. We show that accretion efficiently depletes grains with radii $a\la 0.001 \micron$ on a time-scale of $\la 10$ Myr in solar-metallicity molecular ...
arxiv +1 more source
Spatial coagulation with bounded coagulation rate [PDF]
arXiv, 2010 We prove that the spatial coagulation equation with bounded coagulation rate is well-posed for all times in a given class of kernels if the convection term of the underlying particle dynamics has divergence bounded below by a positive constant. Multiple coagulations, fragmentation and scattering are also considered.
arxiv
A new and elementary proof of Newton's "favorite" quadrature formulae [PDF]
arXiv, 2007 In this note we shall give a new proof to a quadrature formulae due to Newton.
arxiv
Measure solutions for the Smoluchowski coagulation-diffusion equation [PDF]
arXiv, 2014 A notion of measure solution is formulated for a coagulation-diffusion equation, which is the natural counterpart of Smoluchowski's coagulation equation in a spatially inhomogeneous setting. Some general properties of such solutions are established.
arxiv
Coagulation-Fragmentation equations with multiplicative coagulation kernel and constant fragmentation kernel [PDF]
arXiv, 2019 We study a critical case of Coagulation-Fragmentation equations with multiplicative coagulation kernel and constant fragmentation kernel. Our method is based on the study of viscosity solutions to a new singular Hamilton-Jacobi equation, which results from applying the Bernstein transform to the original Coagulation-Fragmentation equation.
arxiv