A5030590027- Machine Learning in Materials Science
- Radical Photochemical Reactions
- Biomedical Text Mining and Ontologies
- Oxidative Organic Chemistry Reactions
- DNA and Biological Computing
- Catalytic C–H Functionalization Methods
- Modular Robots and Swarm Intelligence
- Computational Drug Discovery Methods
- Electrocatalysts for Energy Conversion
- Electrochemical Analysis and Applications
- X-ray Diffraction in Crystallography
- Microplastics and Plastic Pollution
- Recycling and Waste Management Techniques
- Advanced biosensing and bioanalysis techniques
- Polymer composites and self-healing
- Advanced Text Analysis Techniques
- scientometrics and bibliometrics research
- Academic Writing and Publishing
- Chemistry and Chemical Engineering
- biodegradable polymer synthesis and properties
- Advanced Polymer Synthesis and Characterization
- Topic Modeling
- Conducting polymers and applications
- Lignin and Wood Chemistry
- Catalysis for Biomass Conversion
Microsoft (United States)
2021-2025
University of Washington
2021-2024
Microsoft Research (United Kingdom)
2023
University of Utah
2020
Washington University in St. Louis
2013-2017
Rice University
2014
Oxidation reactions are powerful tools for synthesis because they allow us to reverse the polarity of electron-rich functional groups, generate highly reactive intermediates, and increase functionality molecules. For this reason, oxidation have been continue be subject intense study. Central these efforts is development mechanism-based strategies that think about intermediates frequently central success mechanistic pathways those trigger. example, consider oxidative cyclization triggered by...
Synthetic DNA is an attractive medium for long-term data storage because of its density, ease copying, sustainability, and longevity. Recent advances have focused on the development new encoding algorithms, automation, preservation, sequencing technologies. Despite progress in these areas, most challenging hurdle deployment remains write throughput, which limits capacity. We developed first nanoscale writer, we expect to scale density 25 × 106 sequences per square centimeter, three orders...
The design of functional materials with desired properties is essential in driving technological advances areas like energy storage, catalysis, and carbon capture. Generative models provide a new paradigm for by directly generating entirely novel given property constraints. Despite recent progress, current generative have low success rate proposing stable crystals, or can only satisfy very limited set Here, we present MatterGen, model that generates stable, diverse inorganic across the...
Novel enzymatic methods are poised to become the dominant processes for de novo synthesis of DNA, promising functional, economic, and environmental advantages over longstanding approach phosphoramidite synthesis. Before this can occur, however, must be parallelized enable production multiple DNA sequences simultaneously. As a means parallelization, we report polymerase-nucleotide conjugate that is cleaved using electrochemical oxidation on microelectrode array. The developed maintains...
Accurate and fast prediction of materials properties is central to the digital transformation design. However, vast design space diverse operating conditions pose significant challenges for accurately modeling arbitrary material candidates forecasting their properties. We present MatterSim, a deep learning model actively learned from large-scale first-principles computations, efficient atomistic simulations at level accurate broad across periodic table, spanning temperatures 0 5000 K...
The combination of visible light, photovoltaics, and electrochemistry provides a convenient, inexpensive platform for conducting wide variety sustainable oxidation reactions. approach presented in this article is compatible with both direct indirect reactions, avoids the need stoichiometric oxidant, leads to hydrogen gas as only byproduct from corresponding reduction reaction.
Either aldehyde or cinnamyl ether products can be selectively extracted from raw sawdust by controlling the temperature and pressure of a solvolysis reaction. These materials have been used as platform chemicals for synthesis 15 different synthetic substrates. The conversion initial sawdust-derived into electron-rich aryl substrates often requires use oxidation reduction chemistry, role electrochemistry play sustainable method these transformations has defined.
Anodic oxidation reactions have been used to synthesize aryl- and biaryl-substituted C-glycosides. The take advantage of the tendency for alcohol nucleophiles trap nonpolar radical cations. addition cation appears be reversible, success cyclizations is dependent on ease with which resulting benzylic oxidized.
Metal-organic frameworks (MOFs) are of immense interest in applications such as gas storage and carbon capture due to their exceptional porosity tunable chemistry. Their modular nature has enabled the use template-based methods generate hypothetical MOFs by combining molecular building blocks accordance with known network topologies. However, ability these identify top-performing is often hindered limited diversity resulting chemical space. In this work, we propose MOFDiff: a coarse-grained...
Griffin Adams, Bichlien Nguyen, Jake Smith, Yingce Xia, Shufang Xie, Anna Ostropolets, Budhaditya Deb, Yuan-Jyue Chen, Tristan Naumann, Noémie Elhadad. Proceedings of the 61st Annual Meeting Association for Computational Linguistics (Volume 1: Long Papers). 2023.
ABSTRACT In spite of their useful electronic and mechanical properties, the utility single‐walled carbon nanotubes (SWNT) is limited by inherent insolubility in aqueous environments difficulty functionalizing material while retaining opto‐electric properties. this article, synthesis polyvinylpyrrolidone (PVP) copolymers for wrapping SWNTs described. Studies include effect polymer composition charge on SWNT stability solution variation wrapped during high‐dilution conditions using dialysis...
Rapid prediction of environmental chemistry properties is critical for the green and sustainable development chemical industry drug discovery.
DNA data storage is a potential alternative to magnetic tape for archival purposes, promising substantial gains in information density. Critical the success of as media an understanding role environmental factors on longevity stored information. In this paper, we evaluate effect exposure ionizing particle radiation, cause loss traditional media, pools. We develop mass action kinetics model estimate rate damage accumulation strands due neutron interactions with both nucleotides and residual...
Insulin derivatives such as insulin detemir and degludec are U.S. Food Drug Administration (FDA)-approved long-acting currently used by millions of people with diabetes. These modified in C-terminal B29 lysine to retain bioactivity. New efficient methods for facile synthesis may lead new discovery therapeutic insulin. Herein, we report a method using sortase A (SrtA)-mediated ligation the high efficiency functional group tolerance B chain. This molecule (Ins-SA) an SrtA-recognizing motif can...
Abstract Constant current electrochemical reactions are very versatile tools for conducting oxidation and reduction reactions. In the reactions, potential at working electrode automatically adjusts to that of substrate in solution, a situation allows same overall synthetic approach be used both direct substrates generation wide range chemical reagents catalysts. The science presented this manuscript illustrates how combination these methods can create new opportunities synthesis....
Aqueous organic redox-flow batteries (RFBs) are promising for grid-scale energy storage, but developing stable, low-cost electrolytes remains challenging. Herein, azobenzenes were investigated as negative because of their low molecular weight and commercial availability. The electrochemical properties cycling performance methyl red, an azobenzene dye, evaluated under alkaline conditions. Analyzing the decomposition products revealed degradation through a hydrazo bond cleavage. To attenuate...
Abstract Vitrimer is a new, exciting class of sustainable polymers with healing abilities due to their dynamic covalent adaptive networks. However, limited choice constituent molecules restricts property space and potential applications. To overcome this challenge, an innovative approach coupling molecular dynamics (MD) simulations novel graph variational autoencoder (VAE) model for inverse design vitrimer chemistries desired glass transition temperature ( T g ) presented. The first diverse...
Electronics are integral to modern life; however, at their end-of-life these devices produce environmentally hazardous electronic waste (e-waste). Recycling the ubiquitous printed circuit boards (PCBs) that make up a substantial mass and volume fraction of e-waste is challenging due use irreversibly cured thermoset epoxies. We present PCB formulation using transesterification vitrimers (vPCBs), an end-to-end fabrication process compatible with standard manufacturing ecosystems. create...
Despite well-established no-go theorems on a perfect linear optical Bell state analyzer, we find numerical trend that appears to approach near-perfect measurement if incorporate eight or more un-entangled ancilla photons into our device. Following this trend, begin promising inductive building an ideal In the process, determine any analyzer (even occasionally) bunches all only two of output modes cannot perform and set conditions circuit prevent outcome.