The Enduring Legacy of Gregory VothA Beacon of Innovation and Mentorship in Theoretical Chemistry
by Brian Foley
In the realm of theoretical chemistry, few names resonate as profoundly as Gregory Voth. Over a distinguished career that spans more than three decades, Voth has won numerous awards and fellowships, published over 600 scientific articles, and made significant contributions to the fields of quantum mechanics, biophysics, and multi-scale modeling. His pioneering work has not only advanced scientific understanding but has also fostered a collaborative spirit that has shaped the next generation of scientists.
This year has marked the influential chemist’s 65th birthday. To mark the occasion, he was honored by the American Chemical Society with a symposium. Over four days, more than 60 speakers from around the country made up of researchers, friends, and colleagues came together to present on a wide range of topics influenced by Professor Voth’s work.
UChicago Professor Benoit Roux, who spoke at the event, aptly noted, “It is very rare for a theoretical chemist to have an impact on one field. He had an impact on two completely different fields, which is exceptional.” Indeed, the word "exceptional" echoed throughout the weekend symposium, reflecting the appreciation and legacy of Gregory Voth.
To further commemorate his extraordinary contributions, a special issue of The Journal of Physical Chemistry B has been dedicated to Professor Voth. This "Festschrift issue" showcases a curated collection of around 65 scholarly articles from his colleagues, friends, and former students celebrating his influential work and the significant impact he has had on the scientific community.
In an introductory tribute to Voth, the editors of the “Festschrift” issue write:
“Greg Voth has dramatically altered the landscape of physical chemistry and biophysics. He has invented and developed a vast array of powerful computational methods for effectively modeling complex phenomena that once seemed intractable. By leveraging these methods Greg has profoundly advanced our understanding of many outstanding questions in biological, chemical, and material science.”
Early Influences and Academic Journey
Gregory Voth’s passion for science was evident from an early age, shaped by the guidance of his father. He recalls his teenage years as a time of turbulence, stating, “I always tell this story about being this kind of troubled teenager.” As described in an Autobiography prepared for the Festschrift issue, it was during this period that his father introduced him to a book - 30 years of Physics: The Story of Quantum Theory by George Gamow - that would leave a lasting impression: “It talks about the quantum and relativity revolution and these individuals and their impact not only on science, but also as people.” This early exposure to the stories of great scientists inspired Voth to believe that he could also make a significant impact in the world.
Voth's academic journey took him to the California Institute of Technology (Caltech), where he had the privilege of working under the mentorship of Nobel laureate Rudolph Marcus. Voth describes this experience as one of “benign neglect,” where Marcus allowed him the freedom to explore and learn independently. “He kind of just let me learn about doing research. He didn’t hold my hand.” This hands-off approach led Voth to discover his own self-sufficiency and critical thinking skills, which he attributes in part to his success.
“Looking back on my career, I’m grateful for the mentors who guided me and the opportunities I had to contribute to the field. Each phase of my journey has shaped me into the scientist I am today, and I cherish the lessons learned along the way.”
As he transitioned into faculty life, Voth completed his postdoctoral degree at UC Berkeley, eventually joining the faculty as an at the University of Pennsylvania in 1989, before taking a position at the University of Utah as a Distinguished Professor in 1997. “The University of Utah was tremendously supportive of me. I think a majority of my top ten most cited papers were published there,” said Voth. However, he credits UChicago Professor Norbert Scherer as instrumental in organizing his move from the University of Utah to the University of Chicago in 2010.
“Theoretical chemistry has always been very strong at UChicago,” he said, “and it continues to be strong. I'm glad to be a part of that.”
Now coming up on his 15th anniversary at the University of Chicago as a faculty member and distinguished scientist, Voth reflects on his time at the university: “It's amazing time has gone by like that,” he says. “More than anything, the grad students and postdocs have been really, really good.”
Pioneering Efforts in Multi-Scale Modeling
Gregory Voth's pioneering work in multi-scale modeling has been instrumental in transforming scientists understanding of complex systems in theoretical chemistry, bridging the gap between quantum mechanics and macroscopic thermodynamics. His work has established rigorous theoretical frameworks that connect these scales, setting a new gold standard in the field.
In traditional chemistry, problems typically involve two primary scales: the quantum electronic structure of electrons and nuclei, and the subsequent motion of molecules. These interactions can then extend to thermodynamics, which offers a broader, macroscopic perspective. However, many challenges in biology and materials science introduce at least a third scale, such as nanoscale or mesoscale organization. Voth emphasizes this complexity, stating, “Sometimes there's even more scales than that,” with biological cells serving as a prime example of such intricate systems.
The pivotal question that arises when faced with several scales is how to connect them in a rigorous manner—a challenge that Voth and his team began addressing in the early 2000s. Building on foundational concepts similar to those established by Chicago physicist Leo Kadanoff, Voth's lab developed methods that not only simplify the complex problem of coupled scales but also preserves their essential characteristics. “We showed how to do it for these systems rigorously,” he asserts.
To effectively extrapolate results and deepen our understanding of complex phenomena, Voth emphasizes the necessity of theoretical frameworks, particularly when dealing with large heterogeneous systems. A significant part of his group’s current research focuses on viruses, which are intricate assemblies of over a thousand proteins interacting in complex ways. Despite the significant challenges posed by this complexity, Voth's innovative approach shines through. He explains, “We found ways of sort of using how quantum mechanics works and with classical mechanics and different ways of putting these things together in order to model these systems.”
Voth's dedication to tackling “really hard problems” instead of simpler ones embodies his belief in the importance of meaningful scientific inquiry. “And if the approaches don't exist to solve those problems, we develop those approaches. And that has put us in a strong position to do a number of things for the first time,” he says.
The Impact of Mentorship, Collaboration, and Friendships
As the Festschrift issue demonstrates, one of the most significant aspects of Gregory Voth's legacy is his unwavering commitment to mentorship, which has left a lasting impact on both his students and the field of theoretical chemistry. He affectionately refers to his students as “a family,” highlighting the close-knit and supportive environment he has cultivated. Voth reflects on the importance of this connection, stating, “My father instilled in me that if your students think highly of you, you really don’t worry about the rest, even if a few of your colleagues may not support you for some reason.”
One only has to look at the accomplishments of Voth's former students to see they stand as a testament to the effectiveness of his mentorship. Throughout his career, he has educated over 200 students and postdocs, many of whom have secured prestigious fellowships, including the Harper Fellowship, as well as notable academic positions at esteemed institutions. Voth’s mentorship has empowered his members to make significant contributions to theoretical chemistry and his confidence in their abilities shines through in his words: “Quite honestly, very few in the world can do it like they can. And so, that means a lot to me. I'm proud of them.”
Additionally, to tackle some of the most challenging scientific questions, Voth has made collaboration with experimentalists across various fields a cornerstone of his career. His commitment to partnership has led him to work with over 100 collaborators throughout his journey. Despite his background in theoretical chemistry, Voth has embraced the complexities of biology, showcasing his confidence in contributing meaningfully to this intricate field. “They recognize that we may not know all the biology, but we’re bringing something new to the field, and they appreciate that” he explains.
The extensive network Voth has built not only enhances his research but also creates an adventurous and dynamic environment for his students. He aims to exemplify the spirit of collaboration, encouraging his students to engage with diverse disciplines and think outside the box. This collaborative approach not only enriches the research experience but also prepares his students to tackle complex problems with innovative solutions.
Legacy
The Festschrift issue stands as a testament to Gregory Voth’s remarkable legacy, marked by his dedication to research, mentorship, and collaboration. As he looks back on his career, Voth conveys a sense of fulfillment, stating, “If I had to just stop tomorrow, I would feel great.”
In an era where scientific challenges grow ever more intricate, Voth’s approach shines as a beacon of hope and inspiration. His legacy transcends the mere tally of published papers or accolades; it is defined by the countless lives he has influenced and the wealth of knowledge he has shared. “Our strength is that the sum of all these people is much more than just me,” he says.
As his ethos of mentorship and teamwork will undoubtedly continue to shape the future of theoretical chemistry, inspiring the next generation of scientists to follow in his footsteps, Voth’s impact is a reminder that true success lies not just in individual achievements but in the collective progress of the scientific community.
Highlights from the Journal of Physical Chemistry B Festschrift Issue on Gregory Voth
Jaehyeok Jin, William G. Noid, Jianing Li, Revati Kumar, Jianshu Cao, Seogjoo Jang, Francesco Paesani, David Reichman
Autobiography of Gregory A Voth
Gregory A Voth
How is Membrane Permeation of Small Ionizable Molecules Affected by Protonation Kinetics?
Jonathan Harris, Christophe Chipot, and Benoît Roux
Strong H-bonding from Zeolite Bro̷nsted Acid Site to Water: Origin of the Broad IR Doublet
John H. Hack, Yaxin Chen, Nicholas H. C. Lewis, Harold H. Kung, and Andrei Tokmakoff
Aaron P. Charnay, Junkun Pan, and Michael D. Fayer
Is the Local Ion Density Sufficient to Drive NaCl Nucleation from the Melt and Aqueous Solution?
Ruiyu Wang, Shams Mehdi, Ziyue Zou, and Pratyush Tiwary
Roya Savoj, Henry Agnew, Ruihan Zhou, and Francesco Paesani
Minimum-Energy Conical Intersections by Compressed Multistate Pair-Density Functional Theory
Paul B. Calio, Matthew R. Hermes, Jie J. Bao, Ignacio Fdez. Galván, Roland Lindh, Donald G. Truhlar, and Laura Gagliardi
Five of the Most Cited Paper from Gregory Voth
Sergei Izvekov and Gregory A. Voth; A Multiscale Coarse-Graining Method for Biomolecular Systems. The Journal of Physical Chemistry B 2005 109 (7), 2469-2473 DOI: 10.1021/jp044629q
Yanting Wang and Gregory A. Voth; Unique Spatial Heterogeneity in Ionic Liquids. Journal of the American Chemical Society 2005 127 (35), 12192-12193, DOI: 10.1021/ja053796g
Noid, W. G.; Chu, J.-W.; Ayton, G. S.; Krishna, V.; Izvekov, S.; Voth, G. A.; Das, A.; Andersen, H. C.; The multiscale coarse-graining method. I. A rigorous bridge between atomistic and coarse-grained models. The Journal of Chemical Physics 2008, 128 (24). DOI: 10.1063/1.2938860
Del Pópolo, M. G.; Voth, G. A; On the Structure and Dynamics of Ionic Liquids. The Journal of Physical Chemistry B 2004, 108 (5), 1744–1752. DOI: 10.1021/jp0364699
Udo W Schmitt, Gregory A. Voth; The computer simulation of proton transport in water. J. Chem. Phys. 22 November 1999; 111 (20): 9361-9381. DOI: https://doi.org/10.1063/1.480032