Leading quantum at an inflection point

leading-quantum-at-an-inflection-point

Danna Freedman is seeking the early adopters.

She is the faculty director of the nascent MIT Quantum Initiative, or QMIT. In this new role, Freedman is giving shape to an ambitious, Institute-wide effort to apply quantum breakthroughs to the most consequential challenges in science, technology, industry, and national security.

The interdisciplinary endeavor, the newest of MIT President Sally Kornbluth’s strategic initiatives, will bring together MIT researchers and domain experts from a range of industries to identify and tackle practical challenges wherever quantum solutions could achieve the greatest impact.

“We’ve already seen how the breadth of progress in quantum has created opportunities to rethink the future of security and encryption, imagine new modes of navigation, and even measure gravitational waves more precisely to observe the cosmos in an entirely new way,” says Freedman, the Frederick George Keyes Professor of Chemistry.

 » Read More

Astronomical data collection of Taurus Molecular Cloud-1 reveals over 100 different molecules

astronomical-data-collection-of-taurus-molecular-cloud-1-reveals-over-100-different-molecules

MIT researchers recently studied a region of space called the Taurus Molecular Cloud-1 (TMC-1) and discovered more than 100 different molecules floating in the gas there — more than in any other known interstellar cloud. They used powerful radio telescopes capable of detecting very faint signals across a wide range of wavelengths in the electromagnetic spectrum.

With over 1,400 observing hours on the Green Bank Telescope (GBT) — the world’s largest fully steerable radio telescope, located in West Virginia — researchers in the group of Brett McGuire collected the astronomical data needed to search for molecules in deep space and have made the full dataset publicly available. From these observations, published in The Astrophysical Journal Supplement Series (ApJS), the team censused 102 molecules in TMC-1, a cold interstellar cloud where sunlike stars are born. Most of these molecules are hydrocarbons (made only of carbon and hydrogen) and nitrogen-rich compounds,

 » Read More

A simple formula could guide the design of faster-charging, longer-lasting batteries

a-simple-formula-could-guide-the-design-of-faster-charging,-longer-lasting-batteries

At the heart of all lithium-ion batteries is a simple reaction: Lithium ions dissolved in an electrolyte solution “intercalate” or insert themselves into a solid electrode during battery discharge. When they de-intercalate and return to the electrolyte, the battery charges.

This process happens thousands of times throughout the life of a battery. The amount of power that the battery can generate, and how quickly it can charge, depend on how fast this reaction happens. However, little is known about the exact mechanism of this reaction, or the factors that control its rate.

In a new study, MIT researchers have measured lithium intercalation rates in a variety of different battery materials and used that data to develop a new model of how the reaction is controlled. Their model suggests that lithium intercalation is governed by a process known as coupled ion-electron transfer, in which an electron is transferred to the electrode along with a lithium ion.

 » Read More

The first animals on Earth may have been sea sponges, study suggests

the-first-animals-on-earth-may-have-been-sea-sponges,-study-suggests

A team of MIT geochemists has unearthed new evidence in very old rocks suggesting that some of the first animals on Earth were likely ancestors of the modern sea sponge.

In a study appearing today in the Proceedings of the National Academy of Sciences, the researchers report that they have identified “chemical fossils” that may have been left by ancient sponges in rocks that are more than 541 million years old. A chemical fossil is a remnant of a biomolecule that originated from a living organism that has since been buried, transformed, and preserved in sediment, sometimes for hundreds of millions of years.

The newly identified chemical fossils are special types of steranes, which are the geologically stable form of sterols, such as cholesterol, that are found in the cell membranes of complex organisms. The researchers traced these special steranes to a class of sea sponges known as demosponges.

 » Read More

A new model predicts how molecules will dissolve in different solvents

a-new-model-predicts-how-molecules-will-dissolve-in-different-solvents

Using machine learning, MIT chemical engineers have created a computational model that can predict how well any given molecule will dissolve in an organic solvent — a key step in the synthesis of nearly any pharmaceutical. This type of prediction could make it much easier to develop new ways to produce drugs and other useful molecules.

The new model, which predicts how much of a solute will dissolve in a particular solvent, should help chemists to choose the right solvent for any given reaction in their synthesis, the researchers say. Common organic solvents include ethanol and acetone, and there are hundreds of others that can also be used in chemical reactions.

“Predicting solubility really is a rate-limiting step in synthetic planning and manufacturing of chemicals, especially drugs, so there’s been a longstanding interest in being able to make better predictions of solubility,” says Lucas Attia, an MIT graduate student and one of the lead authors of the new study.

 » Read More

Planets without water could still produce certain liquids, a new study finds

planets-without-water-could-still-produce-certain-liquids,-a-new-study-finds

Water is essential for life on Earth. So, the liquid must be a requirement for life on other worlds. For decades, scientists’ definition of habitability on other planets has rested on this assumption.

But what makes some planets habitable might have very little to do with water. In fact, an entirely different type of liquid could conceivably support life in worlds where water can barely exist. That’s a possibility that MIT scientists raise in a study appearing this week in the Proceedings of the National Academy of Sciences.

From lab experiments, the researchers found that a type of fluid known as an ionic liquid can readily form from chemical ingredients that are also expected to be found on the surface of some rocky planets and moons. Ionic liquids are salts that exist in liquid form below about 100 degrees Celsius. The team’s experiments showed that a mixture of sulfuric acid and certain nitrogen-containing organic compounds produced such a liquid.

 » Read More

New system dramatically speeds the search for polymer materials

new-system-dramatically-speeds-the-search-for-polymer-materials

Scientists often seek new materials derived from polymers. Rather than starting a polymer search from scratch, they save time and money by blending existing polymers to achieve desired properties.

But identifying the best blend is a thorny problem. Not only is there a practically limitless number of potential combinations, but polymers interact in complex ways, so the properties of a new blend are challenging to predict.

To accelerate the discovery of new materials, MIT researchers developed a fully autonomous experimental platform that can efficiently identify optimal polymer blends.

The closed-loop workflow uses a powerful algorithm to explore a wide range of potential polymer blends, feeding a selection of combinations to a robotic system that mixes chemicals and tests each blend.

Based on the results, the algorithm decides which experiments to conduct next, continuing the process until the new polymer meets the user’s goals.

 » Read More

AI helps chemists develop tougher plastics

ai-helps-chemists-develop-tougher-plastics

A new strategy for strengthening polymer materials could lead to more durable plastics and cut down on plastic waste, according to researchers at MIT and Duke University.

Using machine learning, the researchers identified crosslinker molecules that can be added to polymer materials, allowing them to withstand more force before tearing. These crosslinkers belong to a class of molecules known as mechanophores, which change their shape or other properties in response to mechanical force.

“These molecules can be useful for making polymers that would be stronger in response to force. You apply some stress to them, and rather than cracking or breaking, you instead see something that has higher resilience,” says Heather Kulik, the Lammot du Pont Professor of Chemical Engineering at MIT, who is also a professor of chemistry and the senior author of the study.

The crosslinkers that the researchers identified in this study are iron-containing compounds known as ferrocenes,

 » Read More

New machine-learning application to help researchers predict chemical properties

new-machine-learning-application-to-help-researchers-predict-chemical-properties

One of the shared, fundamental goals of most chemistry researchers is the need to predict a molecule’s properties, such as its boiling or melting point. Once researchers can pinpoint that prediction, they’re able to move forward with their work yielding discoveries that lead to medicines, materials, and more. Historically, however, the traditional methods of unveiling these predictions are associated with a significant cost — expending time and wear and tear on equipment, in addition to funds.

Enter a branch of artificial intelligence known as machine learning (ML). ML has lessened the burden of molecule property prediction to a degree, but the advanced tools that most effectively expedite the process — by learning from existing data to make rapid predictions for new molecules — require the user to have a significant level of programming expertise. This creates an accessibility barrier for many chemists, who may not have the significant computational proficiency required to navigate the prediction pipeline. 

 » Read More

New AI system uncovers hidden cell subtypes, boosts precision medicine

new-ai-system-uncovers-hidden-cell-subtypes,-boosts-precision-medicine

In order to produce effective targeted therapies for cancer, scientists need to isolate the genetic and phenotypic characteristics of cancer cells, both within and across different tumors, because those differences impact how tumors respond to treatment.

Part of this work requires a deep understanding of the RNA or protein molecules each cancer cell expresses, where it is located in the tumor, and what it looks like under a microscope.

Traditionally, scientists have looked at one or more of these aspects separately, but now a new deep learning AI tool, CellLENS (Cell Local Environment and Neighborhood Scan), fuses all three domains together, using a combination of convolutional neural networks and graph neural networks to build a comprehensive digital profile for every single cell. This allows the system to group cells with similar biology — effectively separating even those that appear very similar in isolation, but behave differently depending on their surroundings.

 » Read More