Skip to content
Log in
Sponsored AI Networking Cookbook: Practical recipes for AI-assisted network automation and development AI Networking Cookbook: Practical recipes for AI-assisted network automation and development

Similar papers

Review Open access Oct 2026

Investigation of Lamotrigine Crystal Polymorphs Using Crystal Structure Prediction and Terahertz Spectroscopy

Crystal structure prediction (CSP) plays a significant role in exploring the crystal polymorphism of pharmaceutical solids. Determination of the atomic-level structures of crystalline materials is a fundamental step in understanding their bulk physical and chemical properties and behavior in drug products. CSP can be...

Salvatore Zarrella, Mizuki Mohara, K. Shimura et al. · 0 citations
#protein folding Open access Sep 2026

Computational Exploration of the Structural, Electronic and Nonlinear Optical Properties of Substituted Piperidine Scaffold: A DFT and Molecular Docking Approach

An investigation into the structural, electronic and reactive properties of a substituted piperidine scaffold were conducted using density functional theory (DFT) at the B3LYP/6-31 G(d) level of theory. Molecular geometry optimization established a stable equilibrium structure. Frontier molecular orbital (FMO) analysis...

G. Baskar, J. Veeramalini, J. Jebaraj · 0 citations
Sep 2026

Comprehensive Theoretical and Experimental Investigation of 5M2OT4CA: Synthesis, Crystal Growth, DFT Spectroscopic Characterization, Molecular Docking and Pharmaceutical Potential Assessment

To investigate the structural, spectroscopic, pharmaceutical, and environmental significance of (5)-methyl-(2)-oxo-(1,3)-thiazolidine-(4)-carboxylic acid (5M2OT4CA), a high-quality single crystal was successfully grown from an aqueous medium at room temperature using the slow evaporation method. The observed spectral f...

A. Suvitha, N. Maharani, G. Kumaraswamy et al. · 0 citations
Open access Sep 2026

Energy Landscape and Electronic Properties of Yttrium Oxysulfide (Y2O2S)

This study investigates the electronic properties and crystalline phases of yttrium oxysulfide (Y2O2S) using theoretical computational methods. A crystal structure prediction was employed to explore the compound’s energy landscape. A global optimization using empirical potentials was performed, followed by a local opti...

D. Jordanov, J. Zagorac, J. Schön et al. · 0 citations
Open access Sep 2026

Organoboronic Acids as Co-Formers in Pharmaceutical Crystal Engineering

This study presents a structural screening and molecular electrostatic potential (MEP) computational analysis of various organoboronic acids as effective co-formers in pharmaceutical crystal engineering. The strong predictability of dimeric B(OH) 2 homosynthons allows for precise control of molecular self-assembly with...

V. Dyulgerov, Mariya Georgieva · 0 citations

Related blog posts

Microsoft Research Blog Oct 29, 2026

Microsoft Research Focus – Edition #97

Host Sowbhagya Suresh shares some of the latest news and cutting-edge research from across Microsoft—from understanding the challenges facing coding agents to uncovering how people use AI at work and improving extended-range weather forecasting. The post Microsoft Research Focus – Edition #97 appeared first on Microsoft Research.

MIT News · Artificial Intelligence Oct 28, 2026

Making machines that can listen

Professor Paris Smaragdis develops computers with superhuman hearing for applications like speech recognition, music understanding, and environmental monitoring.

Microsoft Research Blog Oct 21, 2026

Solving a 31-year-old grand challenge in mathematics – the KLS conjecture

For decades, a fundamental question about the difficulty of computing in high-dimensional spaces has resisted proof. New research resolves this question, removing a major theoretical obstacle to understanding the efficiency of randomized algorithms used across science and computing. The Kannan–Lovász–Simonovits (KLS) conjecture was proposed in 1995. It asks whether, for a broad class of high-dimensional […] The post Solving a 31-year-old grand challenge in mathematics – the KLS conjecture appear…

We use cookies to run the site and, with your consent, for analytics and to show ads. See our Cookie Policy.