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Research Communications

A LASTING GIFT TO A SCHOLAR
By Jerod Foster

William Hase is happy with the 43 years he has spent studying, researching and contributing to the world of chemistry and the many opportunities he has had to leave his mark in the scientific community. Raised in his youth on a Midwest farm, Hase, who just turned 60, has been recognized by peers, friends and colleagues in the form of a gift, a “Festchrift” in the Journal of Physical Chemistry. A Festchrift refers to a “celebration publication” and honors those who have made significant contributions in their work. William Hase, Ph.D., Texas Tech University’s Robert A. Welch Professor of Chemistry, received his late birthday gift in appreciative hands.

“It is special to have this accomplishment,” Hase says. “You start out as a professor and think, ‘My career has just started.’ I was 28-years-old when I began my work, and I didn’t know what was going to happen. I just had to stay interested and keep working hard. To be acknowledged by my peers for my work is special.”

Hase’s career in chemistry began after he received his Ph.D. at New Mexico State University, when his adviser, John W. Simmons, took a year sabbatical and left a research group under Hase’s direction. Hase applied for several post-doctoral positions throughout the country, and he accepted one at the University of California-Irvine. In the fall of 1973, after two years of independent research at the university, Hase was accepted as an assistant professor at Wayne State University in Detroit, Michigan. At Wayne State, Hase spent 30 years building upon his research and studies of a variety of chemical reactions, as well as developing relationships within the physical chemistry society. While the bulk of Hase’s research and educational career took place at Wayne State, much of it traveled with him to Texas Tech University in January 2004, when he accepted a position as the Welch Professor of Chemistry. During his time as a researcher, Hase has authored numerous texts referring to his work and the study of chemistry, including 200 peer-reviewed research papers, seven review article publications, two books and 23 book chapters. Hase also is a Fellow of the American Physical Society, as well as a Fellow of the American Association for the Advancement of Science.


Photos by Jerod Foster

Hase’s studies include analyzing chemical reaction dynamics encompassing theoretical topics, such as the RRKM theory. This theory is based on the assumption that energy transfers rapidly between the atoms of a molecule as it vibrates and enables scientists to determine unimolecular chemical reaction rates using potential energy surface characteristics. In 1976, he published a chapter in Modern Theoretical Chemistry, titled “Dynamics of Unimolecular Reactions,” now considered in the field to be a significant review of the RRKM theory and the modeling of unimolecular reactions. Hase, veiwed as an expert in RRKM theory, co-authored a book with Tom Baer, titled “Unimolecular Reaction Dynamics – Theory and Experiments.” This book is a key reference for observing applications of RRKM theory through experimental outcomes.

Hase’s work also includes analyzing bimolecular reactions and energy deposition due to collisions of various atoms and molecules with hydrocarbon surfaces. According to Mary T. Rodgers and Gang-yu Liu, guest editors for the Festschrift and faculty members at Wayne State University, Hase’s work in these areas have contributed greatly to the scientific community. “Our understanding of the structure, energetics, and dynamics of interfaces, including characterization of friction and adhesion at heterogeneous boundaries, has been improved by insightful work from the Hase group,” the two researchers state.

Hase and his current research group work in simulating those chemical reaction dynamics using electronic structure theories. “We develop theoretical models that are then applied with computer programs. We want the models accurate enough so that we can predict the behavior of chemical reactions, properties and products,” Hase notes. If simulation models can predict chemical reactions accurately, then they will be able to replace experiments. “At certain levels, we have developed the tools that will do this, but those tools have to be tested against experiments. A whole range of experiments then can be simulated very accurately,” Hase says, giving examples of finding and creating pharmaceutical drugs based on computer modeling. “The first approach is to run a variety of simulations,” he says. “Without employing an experiment, these simulations then will rule out a whole suite of molecules that we wouldn’t even want to consider for use in that drug.”

 


Photos by Jerod Foster

The modeling program, VENUS, takes theoretical models and accurately predicts products of a reaction, lending itself to heavy use outside Hase’s research group. ”VENUS is a computer program that we are now interfacing with other software,” Hase says, describing his work with other researchers across the nation to package his software with theirs. “Packaging these software programs allows the science community to do calculations that we couldn’t do unless we had these packages together.”

Working with other universities and different researchers is one more step in completing Hase’s goal of making his work on computer simulations a tool that can be used by many people and many disciplines. “During my last years at Wayne State University, I led an effort to develop an interdisciplinary program in scientific computing, which I believe is very important for the future health of science in the United States. Computer simulation, and its use of theoretical models, is highly interdisciplinary, and tying it to individual departments hinders its development.” Hase believes knowledge and encouragement from the university level is a key factor for the success of the program and the science, and with support from the Texas Tech administration, he steadily is building a Scientific Computing Program at the university.

Hase says that quality education is important for the success and future of science, especially at the public education level. Growing up in rural Missouri, Hase attended a one-room school during his first six years of education. Later, his family moved from Batchelor, Missouri, to Mexico, Missouri, a more populated area where Hase finished junior high and high school. From there, he attended the University of Missouri in Columbia. “I was the first one in my immediate family to go to college,” Hase says. “It just shows you that the American education system offers extraordinary opportunities for people.” Hase says that his parents continually encouraged his education, and their beliefs still reside with him. “There is only one reason why I am where I am today,” he continues. “I had a good public education, even though it was a one-room school.”

Belief in a strong learning environment and personal experience have pushed Hase to be a strong advocate of lower-level education. His consideration of the type of environments that students learn in is an encouraging factor to become more involved with junior high and high school learning. “We are building a Web site that provides access to the results of our simulations of chemical reactions,” Hase says. “This Web site can be used as a part of instruction in the science classroom, maybe even at the junior high level. An individual in New York is using the Web site to retrain high school teachers, and I attended a symposium in Canada where a speaker said he was using the Web site in his chemistry classroom.” Hase believes science can be made more attractive, and the Web site’s animations and accessibility will increase the effectiveness of instruction in science courses. The instructional Web site can be accessed at http://monte.chem.ttu.edu. His research group also is constructing the Web site, http://cdssim.chem.ttu.edu for distributing their computer programs.

Teaching is a component of Hase’s career that holds great significance. At Texas Tech, Hase instructs a junior-level chemistry course, and he serves as an adviser to graduate-level students whose interests lie within scientific computing. “I always have believed that teaching is important,” Hase says, stating that he is gratified in knowing that his students do well after graduation. “The most rewarding moment is when I ask my students to what extent I taught them something that they could use in their futures, no matter what they do. I view that as a responsibility as well: to help teach them so they have the skills to get a job and do well.” Hase is no stranger to receiving positive feedback about many of his students who go on to complete post-doctoral research at other institutions.

Hase identifies with both researcher and educator as two vital roles he plays at Texas Tech – two important roles that ex-students, friends and colleagues acknowledge when honoring him with a Festschrift of the Journal of Physical Chemistry. Hase will continue to research and make contributions to the world of science, and he will aid in educating students, not only at the college level, but at lower levels as well.

Colleagues Mary T. Rodgers and Gang-yu Liu, characterize Hase as someone very deserving of the award in an article written for the publication. “Bill sets a great example of a dedicated academician, a true warrior of scientific research regardless of any difficulty or hardship encountered, and an inspiring and loyal friend to researchers all over the world.”