Chemistry News

Getting under graphite’s skin: A recently discovered method of layering metals with the 2D material may lead to brand new properties

Pat Thiel and Ann Lii-Rosales, scientists at the U.S. Department of Energy’s Ames Laboratory, have discovered a new process to sheathe metal under a single layer of graphite which may lead to new and better-controlled properties for these types of materials.

Preparing for research in the exascale

A bigger, faster computer is coming. But will researchers be able to make use of it?

Exascale computers are predicted to be here sometime in the 2020s. These computers will be at least 50 times faster than the most powerful computers of today, greatly enhancing the computing power available — if the software can keep up. Theresa Windus, a professor of chemistry, paves the way in preparing computational chemistry software for exascale speeds.

Windus was one of twelve invited speakers at The International Conference for High Performance Computing, Networking, Storage and Analysis this past November (also known as Supercomputing ’17 or SC ’17) in Denver, Colorado. The conference is the largest supercomputing meeting in the world, bringing together 11,000 scientists both nationally and internationally who are either involved in computer science or have an interest in how high-performance computing can be used for their particular scientific field.

“It was a great privilege,” Windus said.

She talked at the meeting on the challenges of preparing for exascale computing and the possible solutions her teams have come up with.

She works on two projects preparing for exascale computing: GAMESS, led by Mark Gordon at Iowa State, and NWChemEx, led by Thomas Dunning Jr. at Pacific Northwest National Laboratory. Both projects are software platforms for modeling chemistry and both will need updating to run on the new, faster exascale computer systems.

“The kind of science that this can really enable is huge,” Windus said. “We could model a much more realistic system.”

Because of the scale of what can be done with an exascale computer, more of the surrounding environment, which often affects the chemistry, can be taken into account in the simulations. In addition, simulations can be run allowing for the many different ways and configurations in which a reaction might happen, better predicting if a reaction will happen, how quickly it would happen and what the end products of the reaction would be.

Three focus areas for the new software, Windus said, are performance, portability and productivity. The software algorithms need to be able to perform across the entire exascale machine. It also has to be portable across different exascale machines, which will likely have different architectures from each other. It also needs to be productive for any researcher to use, even graduate students who may have only a basic understanding of coding technique.

It’s a tall order with a moving target. What exascale will look like is only anticipated and not yet known. But Windus brings expertise in high performance computing research, an area she has worked on since her graduate work at Iowa State in 1993. She was also a team lead from 2001-2006 for the NWChem project, now twenty years old and undergoing a complete rehaul in preparation for exascale.

“I like the challenge of trying to figure out how to make all these different pieces work together and hopefully come up with a beautiful, creative, performing product in the end,” Windus said.

Klaus Ruedenberg wins the 2018 Schrödinger Medal of the World Association of Theoretical and Computational Chemists

Congratulations to Dr. Klaus Ruedenberg for winning the prestigious 2018 Schrödinger medal of the World Association of Theoretical and Computational Chemists.  The WATOC Schrödinger medal is awarded each year to one outstanding theoretical and computational chemist.

Addition of Tin Boosts Nanoparticle’s Photoluminescence

Emily Smith and Javier Vela, researchers at Ames Laboratory, have developed germanium nanoparticles with improved photoluminescence, making them potentially better materials for solar cells and imaging probes. The research team found that by adding tin to the nanoparticle’s germanium core, its lattice structure better matched the lattice structure of the cadmium-sulfide coating which allows the particles to absorb more light.

Safety is a top priority in the Department of Chemistry

Safety is a Top Priority in the Department of Chemistry

With more than 70 new teaching assistants (TAs) to supervise hundreds of students each year, the Department of Chemistry works to cultivate a culture of safety from the start. That’s why the department holds a safety orientation for TAs at the beginning of each year as part of overall TA training. Recently, chemistry reached out to EH&S (Environmental Health and Safety) to provide the training in Gilman and tailor it specifically to the chemistry department.

“Safety in our teaching laboratories is and has always been of the highest priority,” said Joe Burnett, senior lecturer in chemistry and leader of the TA training. “It seemed to us that our TAs would benefit from safety instruction in the space that they would be teaching.”

Vincenzo Venditti Receives Roy J. Carver Charitable Trust Grant

The Roy J. Carver Charitable Trust of Muscatine, Iowa, has committed $643,896 to Iowa State University to support two early-career researchers seeking to find solutions to such health-related issues as drug-resistant infections and traumatic brain injury in troops. In addition, the Carver Trust has committed $500,000 to establish a prestigious postdoctoral fellowship program in the College of Liberal Arts and Sciences. The fellowship program will provide opportunities for the postdoctoral researchers who will be the next generation of biomedical scientists, as well as further Iowa State’s research in areas that will lead to breakthroughs in human health.

Robbyn Anand is studying electric fields, microfluidics to improve dialysis technology

Iowa State University's Robbyn Anand is studying how a hybrid of electrochemical and microfluidic technologies could be used to improve the dialysis equipment that cleans salt, waste and water from blood. That technology could enable a wearable, artificial kidney. And that could benefit her brother, who depends on today's big and heavy dialysis equipment.

Chem Stores Semester Break Hours

Chem Stores Semester Break Hours

During the semester break Chem Stores will be closed Friday, December 22 at 4:00 pm until Tuesday, January  2 at 7:30 am.  With the exception, we will be open Wednesday, December 27 from 9:00 am – 3:00 pm.

Customer Appreciation Day

Chem Stores Customer Appreciation Day

Customer Appreciation will be held on Wednesday, December 20 from 8:30-2:00. Join us for snacks and refreshments.

Congratulations to Katherine Woo and Shannon Lee

Congratulations to Katherine Woo and Shannon Lee, from Kirill Kovnir's group, on receiving a NASA fellowship from the NASA Iowa Space Grant Consortium (ISGC).

Theresa Windus Theresa Windus, has been named as an AAAS Fellow in this year’s class.

Theresa Windus is being recognized for “leadership in the development of advanced high-performance computing algorithms, and for development of a broad understanding of the chemistry of heavy elements.”

Windus’ work in computational science has helped researchers in chemistry, biochemistry, materials and engineering use high-performance computers to advance their work.

She is internationally recognized for developing software that allows scientists to effectively use the world’s largest supercomputers.


AAAS Fellows

This year’s class of AAAS Fellows includes 396 members who are being recognized by their scientific peers. They will be formally announced this week in the journal Science and recognized in February at the AAAS annual meeting in Austin, Texas.

The tradition of AAAS Fellows goes back to 1874.

AAAS is the world’s largest general scientific society and includes nearly 250 affiliated societies and science academies that serve 10 million people. AAAS also publishes Science and other scientific journals.  Forr AAAS story see:

Zach Robole receives Iowa Space Grant Consortium undergraduate scholarship

Zach Robole, undergraduate student in the Brett VanVeller group, has been named a recipient of the Iowa Space Grant Consortium undergraduate scholarship.  

Congratulations Zach!!

Professor Arthur Winter receives Trapp Innovation Award

Arthur Winter, associate professor of chemistry, was honored with the 2017 Trapp Innovation Award. The award provides funding to a faculty member who is pursuing new or unique research in chemistry or the physical sciences. Read more about his innovative research here.

Congratulations Art!

Professor Brett VanVeller received the Cassling Family Award for Early Achievement in Teaching

Brett VanVeller, assistant professor of chemistry, received the Cassling Award for Early Achievement in Teaching. The award recognizes an early career faculty member with outstanding teaching performance.

VanVeller’s students describe him as “passionate,” “enthusiastic,” and “charismatic.” He holds innovative office hours in a large conference room where students gather to discuss and work through problems together and have student-led discussions. At the graduate level, he has restructured a foundations course to accelerate the research productivity of first-year graduate students.

“Brett’s emphasis to build upon concepts and examine the ‘how’ and ‘why’ is an eminently sound approach to help students succeed, not only in the difficult subject of organic chemistry, but in other courses as well,” said Gordon Miller, University Professor in chemistry. “He is highly respected and admired by students for his energy, clarity, and passion, and his faculty colleagues are adapting their own philosophies of student-instructor interaction based on some of Brett’s ideas.”

The Cassling Awards were donated by Randal S. and Lori S. Cassling, in honor of Randal’s parents, Robert and Rita Lenore Dunn Cassling. Robert Cassling was a 1956 graduate of Iowa State University while Rita attended Iowa State and was a former homecoming queen.

Congratulations Brett!!

Ann Lii-Rosales wins Minnesota AVS poster competition

Ann Lii-Rosales, a graduate student in the Thiel group, has won the $1,000 poster prize at the Minnesota Regional AVS meeting. She will be travelling to the national meeting in October to compete as a finalist for the student prize of the Nanoscience & Technology Division.

Congratulations Ann!