Many people dream of flying into space for NASA, but few achieve it. Georgia Tech has produced 14 astronauts, inspiring current students to pursue this challenging path. Despite long odds, aspiring astronauts apply repeatedly, driven by passion and determination. Their journey, whether successful or not, pushes them to excel and grow personally and professionally.

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A first-of-its-kind algorithm developed at Georgia Tech is helping scientists study interactions between electrons. This innovation in modeling technology can lead to discoveries in physics, chemistry, materials science, and other fields.

The new algorithm is faster than existing methods while remaining highly accurate. The solver surpasses the limits of current models by demonstrating scalability across chemical system sizes ranging from large to small. 

Computer scientists and engineers benefit from the algorithm’s ability to balance processor loads. This work allows researchers to tackle larger, more complex problems without the prohibitive costs associated with previous methods.

Its ability to solve block linear systems drives the algorithm’s ingenuity. According to the researchers, their approach is the first known use of a block linear system solver to calculate electronic correlation energy.

The Georgia Tech team won’t need to travel far to share their findings with the broader high-performance computing community. They will present their work in Atlanta at the 2024 International Conference for High Performance Computing, Networking, Storage and Analysis (SC24).

[MICROSITE: Georgia Tech at SC24] 

“The combination of solving large problems with high accuracy can enable density functional theory simulation to tackle new problems in science and engineering,” said Edmond Chow, professor and associate chair of Georgia Tech’s School of Computational Science and Engineering (CSE).

Density functional theory (DFT) is a modeling method for studying electronic structure in many-body systems, such as atoms and molecules. 

An important concept DFT models is electronic correlation, the interaction between electrons in a quantum system. Electron correlation energy is the measure of how much the movement of one electron is influenced by presence of all other electrons.

Random phase approximation (RPA) is used to calculate electron correlation energy. While RPA is very accurate, it becomes computationally more expensive as the size of the system being calculated increases.

Georgia Tech’s algorithm enhances electronic correlation energy computations within the RPA framework. The approach circumvents inefficiencies and achieves faster solution times, even for small-scale chemical systems.

The group integrated the algorithm into existing work on SPARC, a real-space electronic structure software package for accurate, efficient, and scalable solutions of DFT equations. School of Civil and Environmental Engineering Professor Phanish Suryanarayana is SPARC’s lead researcher.

The group tested the algorithm on small chemical systems of silicon crystals numbering as few as eight atoms. The method achieved faster calculation times and scaled to larger system sizes than direct approaches.

“This algorithm will enable SPARC to perform electronic structure calculations for realistic systems with a level of accuracy that is the gold standard in chemical and materials science research,” said Suryanarayana.

RPA is expensive because it relies on quartic scaling. When the size of a chemical system is doubled, the computational cost increases by a factor of 16. 

Instead, Georgia Tech’s algorithm scales cubically by solving block linear systems. This capability makes it feasible to solve larger problems at less expense. 

Solving block linear systems presents a challenging trade-off in solving different block sizes. While larger blocks help reduce the number of steps of the solver, using them demands higher computational cost per step on computer processors. 

Tech’s solution is a dynamic block size selection solver. The solver allows each processor to independently select block sizes to calculate. This solution further assists in scaling, and improves processor load balancing and parallel efficiency.

“The new algorithm has many forms of parallelism, making it suitable for immense numbers of processors,” Chow said. “The algorithm works in a real-space, finite-difference DFT code. Such a code can scale efficiently on the largest supercomputers.”

Georgia Tech alumni Shikhar Shah (Ph.D. CSE 2024), Hua Huang (Ph.D. CSE 2024), and Ph.D. student Boqin Zhang led the algorithm’s development. The project was the culmination of work for Shah and Huang, who completed their degrees this summer. John E. Pask, a physicist at Lawrence Livermore National Laboratory, joined the Tech researchers on the work.

Shah, Huang, Zhang, Suryanarayana, and Chow are among more than 50 students, faculty, research scientists, and alumni affiliated with Georgia Tech who are scheduled to give more than 30 presentations at SC24. The experts will present their research through papers, posters, panels, and workshops. 

SC24 takes place Nov. 17-22 at the Georgia World Congress Center in Atlanta. 

“The project’s success came from combining expertise from people with diverse backgrounds ranging from numerical methods to chemistry and materials science to high-performance computing,” Chow said.

“We could not have achieved this as individual teams working alone.”

Bernie Marcus, a visionary entrepreneur, philanthropist, and honorary alumnus whose financial gifts have had a transformative impact at Georgia Tech and the Atlanta community, has died.

“The Georgia Tech community mourns the passing of Bernie Marcus,” President Ángel Cabrera said. “His passion for health science and technology, coupled with his confidence in our research vision, has helped solidify Georgia Tech’s reputation in fields such as stem cell bioengineering, nanotechnology, and cancer research, as well as student innovation and entrepreneurship. His philanthropic legacy will continue to bolster the Atlanta community for generations to come.”

Marcus, co-founder of The Home Depot, was a passionate supporter of education, research, and innovation. Over nearly two decades, The Marcus Foundation provided strategic and significant support to Georgia Tech. His most visible contributions are the Marcus Nanotechnology Building, a state-of-the-art facility that features the largest cleanroom laboratory dedicated to the fabrication and assembly of biomedical and semiconductor devices in the Southeast, and the Marcus Center for Therapeutic Cell Characterization and Manufacturing, which has been pivotal in advancing the manufacturing process of cellular medicines, making them more accessible and affordable.

His support also extended to fostering innovation and entrepreneurship among students. The CREATE-X initiative, backed by an investment from The Marcus Foundation, has empowered over 17,000 students to launch more than 500 startups, powered Georgia Tech’s startup culture, and inspired entrepreneurial engagement both nationally and internationally.

In recognition of his profound impact, Marcus was awarded an Honorary Doctor of Philosophy degree by Georgia Tech in December 2015. This honor acknowledged his revolutionary contributions to the home improvement retail industry, his transformative philanthropy, and his advancement of Georgia Tech's research enterprise.

The Institute for Matter and Systems (IMS) at Georgia Tech has selected seven new interdisciplinary research initiatives to receive seed funding. This funding is part of the larger IMS effort to identify and support visionary leaders driving groundbreaking research and innovation.

IMS focuses on transformational technological and societal systems that arise where innovative materials, devices and processes converge. 

“We are excited to support these researchers and their novel ideas,” said Michael Filler, IMS deputy director for Research and Innovation. “Their work exemplifies the spirit of innovation and excellence that IMS and Georgia Tech are known for, and we look forward to seeing the transformative impact of their research.”

The funded initiatives come from four Colleges and 10 Schools across the Institute, and from GTRI. These initiative leads were selected based on their innovative approaches, potential impact, and alignment with IMS’ mission to push the boundaries of science and technology. The winners will receive $10,000, access to state-of-the-art facilities, and other support from IMS to bring their projects to life.

IMS supports interdisciplinary research both in nationally recognized areas of need and those just emerging. It scaffolds research from the ground up, from seed funding for new initiatives to infrastructure support for research programs and embedded support for research centers. These newly announced initiatives are funded at the lowest level of IMS’ three-tiered model. Successful initiatives can receive further funding and/or be elevated to the program level of support.

The 2024 Initiative Leads:

Quantum Engineering | Yan Wang, George W. Woodruff School of Mechanical Engineering and Asif Khan, Electrical and Computer Engineering, College of Engineering.

Matter and Information | Florian Schafer, School of Computational Science and Engineering, College of Computing.

Metamaterials for National Security | Margaret Kosal, Sam Nunn School of International Affairs, Ivan Allen College of Liberal Arts.

Waste Materials Processing | Ebenezer Fanijo, School of Building Construction, College of Design; and David Citrin, School of Electrical and Computer Engineering, College of Engineering.

Microscale Thermal Tech for Sustainability | Noura Howell, School of Literature, Media, and Communication, Ivan Allen College of Liberal Arts and Joe Bozeman, School of Civil and Environmental Engineering, College of Engineering.

Sports Research, Innovation, and Technology | Jud Ready, Georgia Tech Research Institute.

Incentivizing Breakthrough Science | Usha Nair-Reichert, School of Economics and Richard Barke, School of Public Policy, Ivan Allen College of Liberal Arts.

Learn more about the Institute for Matter and Systems

The Institute for Matter and Systems (IMS) held its opening showcase on October 15, 2024, in the Marcus Nanotechnology Building at Georgia Tech. 

“We're trying to link people from fundamental science through materials, measurements, modelling software, systems, economics, and public policy,” said Eric Vogel, IMS executive director.

Vogel noted that IMS does this in four ways— through research support, fabrication and characterization core facilities, education and outreach programs and strategic external engagement.

The Institute for Matter and Systems arose from the union of the Institute of Electronics and Nanotechnology and the Institute for Materials. Each of the latter two interdisciplinary research institutes focused on major national priorities — the National Nanotechnology Initiative and the Materials Genome Initiative, respectively. The work done by IMS researchers flies at the intersection of technology, innovation, and science, with a focus on creating technological and societal transformation through devices, processes and components.

The event featured the second annual Oliver Brand Memorial Lectureship on Electronics and Nanotechnology. The lecture was presented by Michael Strano, whose research focuses on micro-robotics. 

After the lecture, guests were invited to explore IMS’s research centers and facilities. Walking tours of the micro/nano fabrication cleanroom and material characterization facility showcased the core facilities available to those who engage with IMS. Booths featuring IMS supported research centers allowed guests to explore the breadth of research activities happening within the research institute. 

For his work creating new kinds of drug delivery techniques and bringing those technologies to patients, Mark Prausnitz is one of the new members of the National Academy of Medicine (NAM).

The Academy announced his election Oct. 21 alongside 99 others. Membership in NAM is considered one of the highest recognitions in health and medicine, reserved for those who’ve made major contributions to healthcare, medical sciences, and public health. The roster is small: only 2,400 or so individuals have been honored.

“It’s an honor to be elected to the National Academy of Medicine and have the work of our team at Georgia Tech recognized in this way,” said Prausnitz, Regents’ Professor and J. Erskine Love Jr. Chair in the School of Chemical and Biomolecular Engineering.

The Academy cited Prausnitz for innovating microneedle and other advanced drug delivery technologies. He also was honored for translating those methods and devices into clinical trials and products and founding companies to bring the advances to patients. NAM praised Prausnitz for “inspiring students to be creative and impactful engineers.”

Read the full story on the College of Engineering website.

It was a full house in Georgia Tech’s Marcus Nanotechnology Building for the Oliver Brand Memorial Lectureship on Electronics and Nanotechnology on October 15, 2024. The lecture was presented by Michael Strano, Carbon C. Dubs professor of chemical engineering at MIT, on nanoelectronics grafted onto and within colloids for colloidal state machines and micro-robots.

“We have gathered today to remember a remarkable individual, Professor Oliver Brand, and his contributions to Georgia Tech and to the field of electronics and nanotechnology,” said Michael Filler, Institute for Matter and Systems deputy director. 

“Beyond his academic success, Oliver was a mentor, a colleague, and a friend,” Filler added. “He was known for his sharp mind, his gentle style, and his unwavering support for those around him. His ability to foster collaboration has left an indelible mark on the community, near and far.”

Strano’s talk was the second annual lecture in honor of Brand who served as executive director of the Georgia Tech Institute of Electronics and Nanotechnology (IEN) from 2014 - 2023.

While he never worked directly with Brand, Strano emphasized Brand’s impact in the field of electronics and nanotechnology as well as his impact during the Covid-19 pandemic.

“I can’t say anything better than what Oliver’s colleagues have already said,” said Strano. “They said he was a pioneer and described him as trans-disciplinary and had an enormous impact. Few can match the magnitude of his influence on campus and during the pandemic.”

Strano highlighted the importance of interdisciplinary work, which is necessary to create anything on the nanoscale, with emphasis on his team’s work creating nanoelectronics for micro-robotics. Strano, a chemical engineer, mentioned multiple times that his work — creating nanoscale electronics — would not exist without collaborating with electrical engineers. 

Brand, who died in 2023, as a legacy that lives on through interdisciplinary research at Georgia Tech. He spent more than 20 years as a member of the Institute’s faculty. In addition to leading IEN, he was a professor in the School of Electrical and Computer Engineering, director of the Coordinating Office for the NSF-funded National Nanotechnology Coordinated Infrastructure (NNCI), and director of the Southeastern Nanotechnology Infrastructure Corridor, one of the 16 NNCI sites.

Brand united researchers in the fields of electronics and nanotechnology, fostering collaboration and expanding IEN to include more than 200 faculty members. In addition to his respected work in the field of microelectromechanical systems, he is remembered for his kindness, dedication, and unwavering support for all who knew him.

If you’ve ever watched a large flock of birds on the wing, moving across the sky like a cloud with various shapes and directional changes appearing from seeming chaos, or the maneuvers of an ant colony forming bridges and rafts to escape floods, you’ve been observing what scientists call self-organization. What may not be as obvious is that self-organization occurs throughout the natural world, including bacterial colonies, protein complexes, and hybrid materials. Understanding and predicting self-organization, especially in systems that are out of equilibrium, like living things, is an enduring goal of statistical physics.

This goal is the motivation behind a recently introduced principle of physics called rattling, which posits that systems with sufficiently “messy” dynamics organize into what researchers refer to as low rattling states. Although the principle has proved accurate for systems of robot swarms, it has been too vague to be more broadly tested, and it has been unclear exactly why it works and to what other systems it should apply.

Dana Randall, a professor in the School of Computer Science, and Jacob Calvert, a postdoctoral fellow at the Institute for Data Engineering and Science, have formulated a theory of rattling that answers these fundamental questions. Their paper, “A Local-Global Principle for Nonequilibrium Steady States,” published last week in Proceedings of the National Academy of Sciences, characterizes how rattling is related to the amount of time that a system spends in a state. Their theory further identifies the classes of systems for which rattling explains self-organization.

When we first heard about rattling from physicists, it was very hard to believe it could be true. Our work grew out of a desire to understand it ourselves. We found that the idea at its core is surprisingly simple and holds even more broadly than the physicists guessed.

Dana Randall  Professor, School of Computer Science & Adjunct Professor, School of Mathematics 
Georgia Institute of Technology 

Beyond its basic scientific importance, the work can be put to immediate use to analyze models of phenomena across scientific domains. Additionally, experimentalists seeking organization within a nonequilibrium system may be able to induce low rattling states to achieve their desired goal. The duo thinks the work will be valuable in designing microparticles, robotic swarms, and new materials. It may also provide new ways to analyze and predict collective behaviors in biological systems at the micro and nanoscale.

The preceding material is based on work supported by the Army Research Office under award ARO MURI Award W911NF-19-1-0233 and by the National Science Foundation under grant CCF-2106687. Any opinions, findings, and conclusions or recommendations expressed in this material are those of the authors and do not necessarily reflect the views of the sponsoring agencies.

Jacob Calvert and Dana Randall. A local-global principle for nonequilibrium steady states. Proceedings of the National Academy of Sciences, 121(42):e2411731121, 2024.

The Coaxially Aligned Steerable Guidewire Robot (COAST) is a groundbreaking surgical device developed at Georgia Tech that helps doctors navigate blood vessels with precision during procedures like angioplasty. Controlled remotely, it’s the world’s smallest steerable guidewire. Its innovative micro-tendon actuation system allows smooth navigation, reducing risks. Available for licensing, with support from the Georgia Research Alliance.

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The National Nanotechnology Coordinated Infrastructure (NNCI) announced the winners of the 2024 image contest. The contest, Plenty of Beauty at the Bottom, celebrates the beauty of the micro and nanoscale.

Sites from across the NNCI contributed stunning, unique, and whimsical images of the micro and nanoscale for the 2024 image contest. The public cast over 2,100 votes to determine this year’s winners. First place winning artists will receive up to $1,000 in travel support to a professional conference of their choice and their sites receive a framed print of their winning image. Honorable mentions will receive a framed print of their image. 

View the winners on the NNCI website.