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Computer model sets new precedent in drug discovery

November 19, 2014 8:52 am | by Kat J. McAlpine, Wyss Institute for Biologically Inspired Engineering | Videos | Comments

A major challenge faced by the pharmaceutical industry has been how to rationally design and select protein molecules to create effective biologic drug therapies while reducing unintended side effects—a challenge that has largely been addressed through costly guess–and–check experiments. Researchers at the Wyss Institute for Biologically Inspired Engineering at Harvard Univ. offer a new approach.

A new portrait of carbon dioxide

November 18, 2014 9:36 am | by Patrick Lynch, NASA's Goddard Space Flight Center | Videos | Comments

An ultra-high-resolution NASA computer model has given scientists a stunning new look at how...

As temperatures rise, soil will relinquish less carbon to atmosphere

November 18, 2014 8:26 am | by Dan Krotz, Lawrence Berkeley National Laboratory | News | Comments

Here’s another reason to pay close attention to microbes: Current climate models probably...

Motion-induced quicksand

November 17, 2014 7:45 am | by Jennifer Chu, MIT News Office | News | Comments

From a mechanical perspective, granular materials are stuck between a rock and a fluid place,...

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Lightning expected to increase by 50% with global warming

November 13, 2014 4:56 pm | by Robert Sanders, Univ. of California, Berkeley Media Relations | Videos | Comments

Today’s climate models predict a 50% increase in lightning strikes across the U.S. during this century as a result of warming temperatures associated with climate change. Reporting in Science, a team of climate scientists look at predictions of precipitation and cloud buoyancy in 11 different climate models and conclude that their combined effect will generate more frequent electrical discharges to the ground.

Supercomputers enable climate science to enter a new golden age

November 13, 2014 7:59 am | by Julie Chao, Lawrence Berkeley National Laboratory | Videos | Comments

Not long ago, it would have taken several years to run a high-resolution simulation on a global climate model. But using some of the most powerful supercomputers now available, Lawrence Berkeley National Laboratory climate scientist Michael Wehner was able to complete a run in just three months. Not only were the simulations much closer to actual observations, but the high-resolution models were far better at reproducing intense storms.

New model predicts how traffic will flow

November 7, 2014 10:01 am | by David Chandler, MIT | News | Comments

A reliable way of predicting the flow of traffic could be a great convenience for commuters, as well as a significant energy-saver. Now a team of researchers from MIT, the Univ. of Notre Dame, and elsewhere has devised what they say is an effective and relatively simple formula for making such predictions.

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Researchers prove mathematical models can predict cellular processes

October 29, 2014 9:33 am | News | Comments

A team led by Virginia Tech researchers studied cells found in breast and other types of connective tissue and discovered new information about cell transitions that take place during wound healing and cancer. They developed mathematical models to predict the dynamics of cell transitions, and by comparison gained new understanding of how a substance known as transforming growth factor triggers cell transformations.

An effective, cost-saving way to detect natural gas pipeline leaks

October 23, 2014 9:30 am | News | Comments

Major leaks from oil and gas pipelines have led to home evacuations, explosions, millions of dollars in lawsuit payouts and valuable natural resources escaping into the air, ground and water. But scientists say they have developed a new software-based method that finds leaks even when they’re small, which could help prevent serious incidents and save money for customers and industry.

The Jefferson Project at Lake George unveils state-of-the-art data visualization laboratory

October 17, 2014 11:47 am | Videos | Comments

A partnership between Rensselaer Polytechnic Institute, IBM, and the FUND for Lake George has developed preliminary models of key natural processes within the watershed. A network of 12 sensor platforms including vertical profilers and tributary monitoring stations are now being deployed in Lake George and its tributaries, providing an unprecedented amount of data for researchers that will be interpreted at a new visualization laboratory.

Getting metabolism right

October 8, 2014 7:59 am | by Larry Hardesty, MIT News Office | News | Comments

Metabolic networks are mathematical models of every possible sequence of chemical reactions available to an organ or organism, and they’re used to design microbes for manufacturing processes or to study disease. Based on both genetic analysis and empirical study, they can take years to assemble. Unfortunately, a new analytic tool suggests that many of those models may be wrong.

Researchers turn computers into powerful allies in the fight against AIDS

October 7, 2014 9:54 am | News | Comments

Until now, researchers searching for compounds that have the potential to become a new HIV drug have been hampered by slow computers and inaccurate prediction models. Now, researchers in Denmark have developed an effective model based on quantum mechanics and molecular mechanics that has found, out of a half-million compounds, 14 of interest in just weeks.

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Atmospheric chemistry hinges on better physics model

October 6, 2014 11:44 am | News | Comments

An improved theoretical model of photoabsorption of nitrous oxide, developed by scientists in Malaysia, could shed light on the atmospheric chemistry of ozone depletion. The new theoretical work unveils, through improvements in established calculation approaches, the actual dynamic of stratospheric catalytic ozone destruction.

A glimpse into the 3-D brain

October 6, 2014 11:39 am | News | Comments

People who wish to know how memory works are forced to take a glimpse into the brain. They can now do so without bloodshed: Researchers have developed a new method for creating 3-D models of memory-relevant brain structures. The approach is unique because it enables automatic calculation of the neural interconnections in the brain on the basis of their position inside the space and their projection directions.

Argonne researchers create more accurate model for greenhouse gases from peatlands

October 6, 2014 8:50 am | by Louise Lerner, Argonne National Laboratory | News | Comments

Scientists at the U.S. Department of Energy’s Argonne National Laboratory have created a new model to more accurately describe the greenhouse gases likely to be released from Arctic peatlands as they warm. Their findings, based on modeling how oxygen filters through soil, suggest that previous models probably underestimated methane emissions and overrepresented carbon dioxide emissions from these regions.

Untangling how cables coil

October 3, 2014 10:48 am | by Jennifer Chu, MIT News Office | Videos | Comments

A rip or tangle in any part of world’s 550,000-mile fiber-optic network can significantly slow telecommunications around the world. Now engineers have developed a method that predicts the pattern of coils and tangles that a cable may form when deployed onto a rigid surface. The research combined laboratory experiments with custom-designed cables, computer-graphics technology used to animate hair in movies, and theoretical analyses.

New map uncovers thousands of unseen seamounts on ocean floor

October 3, 2014 9:12 am | News | Comments

Scientists have created a new map of the world's seafloor, offering a more vivid picture of the structures that make up the deepest, least-explored parts of the ocean. The feat was accomplished by accessing two untapped streams of satellite data, which has allowed thousands of previously uncharted mountains rising from the seafloor, called seamounts, to be revealed on the map, along with new clues about the formation of the continents.

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Research confirms controversial Darwin theory of “jump dispersal”

October 2, 2014 8:22 am | News | Comments

More than one hundred and fifty years ago, Charles Darwin hypothesized that species could cross oceans and other vast distances on vegetation rafts, icebergs, or in the case of plant seeds, in the plumage of birds. Though many were skeptical of Darwin's "jump dispersal" idea and instead supported the idea of the use of land bridges, a new computational method now suggests that Darwin might have been correct.

Virtual breast could improve cancer detection

October 1, 2014 9:10 am | by Marcia Goodrich, Michigan Technological Univ. | News | Comments

Only a minority of suspicious mammograms actually leads to a cancer diagnosis, which results in lots of needless worry and spent time for women and their families. Ultrasound elastography could be an excellent screening tool but it requires a lot of skill and interpretation. In an effort to improve results, researchers in Michigan have developed a virtual “breast”, allowing medical professionals to practice in the laboratory.

Adding natural uncertainty improves mathematical models

September 30, 2014 1:11 pm | News | Comments

Mathematicians from Brown Univ. have introduced a new element of uncertainty into an equation used to describe the behavior of fluid flows. Ironically, allowing uncertainty into a mathematical equation that models fluid flows makes the equation much more capable of correctly reflecting the natural world, including the formation, strength, and position of air masses and fronts in the atmosphere.

At the interface of math and science

September 30, 2014 8:09 am | by Julie Cohen, UC Santa Barbara | News | Comments

Univ. of California, Santa Barbara’s Paul Atzberger, a professor in the Department of Mathematics and in mechanical engineering, often works in areas where mathematics plays an ever more important role in the discovery and development of new ideas. Most recently he has developed new mathematical approaches to gain insights into how proteins move around within lipid bilayer membranes.

Hard facts lead to “green” concrete

September 26, 2014 7:53 am | by Mike Williams, Rice Univ. | News | Comments

Concrete can be better and more environmentally friendly by paying attention to its atomic structure, according to researchers at Rice Univ., the Massachusetts Institute of Technology and Marseille Univ. The international team of scientists has created computational models to help concrete manufacturers fine-tune mixes for general applications.

Solar explosions inside a computer

September 25, 2014 8:44 am | News | Comments

Strong solar flares can bring down communications and power grids on Earth. Physicists in Switzerland have examined the processes that take place when explosions occur on the Sun’s surface and have accurately reconstructed the statistical size distribution and temporal succession of the solar flares with a computer model. This has allowed them to make several new observations about the how these flares occur and behave.

New properties found in promising oxide ceramics for reactor fuels

September 23, 2014 2:14 pm | News | Comments

Nanocomposite oxide ceramics have potential uses as ferroelectrics, fast ion conductors, and nuclear fuels and for storing nuclear waste, generating a great deal of scientific interest on the structure, properties, and applications of these blended materials. Los Alamos National Laboratory researchers have made the first observations of the relationship between the chemistry and dislocation structures of the nanoscale interfaces.

Math model designed to replace invasive kidney biopsy for lupus patients

September 19, 2014 8:34 am | by Emily Caldwell, Ohio State Univ. | News | Comments

Mathematics might be able to reduce the need for invasive biopsies in patients suffering kidney damage related to the autoimmune disease lupus. In a new study, researchers developed a math model that can predict the progression from nephritis, or kidney inflammation, to interstitial fibrosis, scarring in the kidney that current treatments cannot reverse. A kidney biopsy is the only existing way to reach a definitive diagnosis.

Designing more successful synthetic molecules

September 17, 2014 11:08 am | by Bjorn Carey, Stanford News Service | News | Comments

Ever since Robert Hooke first described cells in 1665, scientists have been trying to figure out what goes on inside. One of the most exciting modern techniques involves injecting cells with synthetic genetic molecules that can passively report on the cell's behavior. A new computer model could not only improve the sensitivity and success of these synthetic molecules, but also make them easier to design in the first place.

Yellowstone super-eruption would send ash across North America

August 27, 2014 12:22 pm | News | Comments

According to a new study, in the unlikely event of a volcanic super-eruption at Yellowstone National Park, the northern Rocky Mountains would be blanketed in meters of ash, and millimeters would be deposited as far away as New York City, Los Angeles and Miami. An improved computer model finds that the hypothetical, large eruption would create a distinctive kind of ash cloud known as an umbrella, which expands evenly in all directions.

Laser pulse turns glass into a metal

August 26, 2014 10:06 am | News | Comments

For tiny fractions of a second, when illuminated by a laser pulse, quartz glass can take on metallic properties. The phenomenon, recently revealed by large-scale computer simulations, frees electrons, allowing quartz to become opaque and conduct electricity. The effect could be used to build logical switches which are much faster than today’s microelectronics.

Researchers develop models to study polyelectrolytes

August 21, 2014 9:04 am | by Matt Shipman, News Services, North Carolina State Univ. | Videos | Comments

Researchers from North Carolina State Univ. have developed a novel and versatile modeling strategy to simulate polyelectrolyte systems. The model has applications for creating new materials as well as for studying polyelectrolytes, including DNA and RNA. Polyelectrolytes are chains of molecules that are positively or negatively charged when placed in water.

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