Related papers: An integrated system built for small-molecule semi…

The objective of this paper is twofold. First, we propose two composable block solver methodologies to solve the discrete systems that arise from finite element discretizations of the double porosity/permeability (DPP) model. The DPP model,…

Heterogeneous parallel systems are widely spread nowadays. Despite their availability, their usage and adoption are still limited, and even more rarely they are used to full power. Indeed, compelling new technologies are constantly…

Smart contracts are small but highly security-critical programs that implement wallets, token systems, auctions, crowd funding systems, elections, and other multi-party transactions on the blockchain. A broad range of methods has been…

This study addresses the challenge of simulating realistic particle systems by proposing a novel particle decomposition scheme that improves the parallel performance of surface resolved particle simulations. Realistic particle systems often…

Formal methods apply algorithms based on mathematical principles to enhance the reliability of systems. It would only be natural to try to progress from verification, model checking or testing a system against its formal specification into…

The integration of machine learning techniques in materials discovery has become prominent in materials science research and has been accompanied by an increasing trend towards open-source data and tools to propel the field. Despite the…

We describe a microfluidic platform for solid phase screening using extremely small quantities of raw materials. Based on our previous setup for solubility measurement that generates saturated solutions directly from powder, the platform…

Quantum computing has shown great potential in various quantum chemical applications such as drug discovery, material design, and catalyst optimization. Although significant progress has been made in quantum simulation of simple molecules,…

We study the problem of determining whether a given temporal specification can be implemented by a symmetric system, i.e., a system composed from identical components. Symmetry is an important goal in the design of distributed systems,…

Synthesis of advanced inorganic materials with minimum number of trials is of paramount importance towards the acceleration of inorganic materials development. The enormous complexity involved in existing multi-variable synthesis methods…

We present a fast general-purpose algorithm for high-throughput clustering of data "with a two dimensional organization". The algorithm is designed to be implemented with FPGAs or custom electronics. The key feature is a processing time…

The design of complex materials and the formation of specific patterns often arise from the properties of the individual building blocks. In this respect, colloidal systems offer a unique opportunity because nowadays they can be synthesized…

A significant challenge in wet lab experiments with current drug design generative models is the trade-off between pharmacological properties and synthesizability. Molecules predicted to have highly desirable properties are often difficult…

In this paper, a library-based synthesis methodology for reversible circuits is proposed where a reversible specification is considered as a permutation comprising a set of cycles. To this end, a pre-synthesis optimization step is…

As quantum devices continue to scale, distributed quantum computing emerges as a promising strategy for executing large-scale tasks across modular quantum processors. A central challenge in this paradigm is verifying the correctness of…

We describe techniques for synthesis and verification of recursive functional programs over unbounded domains. Our techniques build on top of an algorithm for satisfiability modulo recursive functions, a framework for deductive synthesis,…

Serial crystallography experiments routinely produce thousands of diffraction patterns from crystals in random orientations. To turn this stream of images into a usable dataset, each pattern must be indexed before integration and merging…

Single particle cryo-electron microscopy has become a critical tool in structural biology over the last decade, able to achieve atomic scale resolution in three dimensional models from hundreds of thousands of (noisy) two-dimensional…

The current bulk materials discovery cycle has several inefficiencies from initial computational predictions through fabrication and analyses. Materials are generally evaluated in a singular fashion, relying largely on human-driven…

The size- and fluorescence-based sorting of micro- and nano-scale particles suspended in fluid presents a significant and important challenge for both sample analysis and for manufacturing of nanoparticle-based products. Here we demonstrate…