output
20172026
most citedEffects of Cooling Rate on Structural Relaxation in Amorphous Drugs: Elastically Collective Nonlinear Langevin Equation Theory and Machine Learning Study

32 citations

6 papers

eess.SY2026

Assessing Maintenance of Medium Voltage Cable Networks Under Time-Varying Loading

Jochen Lorenz Cremer

The electrification and ongoing energy transition lead to systematic changes in electricity loading and variability in power systems. Distribution systems were designed for regular…

cs.LG2026

Differentiable Thermodynamic Phase-Equilibria for Machine Learning

Karim K. Ben Hicham, Moreno Ascani, Jan G. Rittig +1

Accurate prediction of phase equilibria remains a central challenge in chemical engineering. Physics-consistent machine learning methods that incorporate thermodynamic structure in…

math.OC2025

Accelerating Deterministic Global Optimization via GPU-parallel Interval Arithmetic

Hongzhen Zhang, Tim Kerkenhoff, Neil Kichler +4

Spatial Branch and Bound (B&B) algorithms are widely used for solving nonconvex problems to global optimality, yet they remain computationally expensive. Though some works have bee…

cond-mat.soft20209 cited

Coupling between structural relaxation and diffusion in glass-forming liquids under pressure variation

Anh D. Phan, Kajetan Koperwas, Marian Paluch +1

We theoretically investigate structural relaxation and activated diffusion of glass-forming liquids at different pressures using both the Elastically Collective Nonlinear Langevin…

cond-mat.soft201932 cited

Effects of Cooling Rate on Structural Relaxation in Amorphous Drugs: Elastically Collective Nonlinear Langevin Equation Theory and Machine Learning Study

Anh D. Phan, Katsunori Wakabayashi, Marian Paluch +1

Theoretical approaches are formulated to investigate the molecular mobility under various cooling rates of amorphous drugs. We describe the structural relaxation of a tagged molecu…

cs.LG201718 cited

Comparative Performance Analysis of Neural Networks Architectures on H2O Platform for Various Activation Functions

Yuriy Kochura, Sergii Stirenko, Yuri Gordienko

Deep learning (deep structured learning, hierarchi- cal learning or deep machine learning) is a branch of machine learning based on a set of algorithms that attempt to model high-…