Faculty & Staff

Tony Drummond

Faculty & Capstone Project Lead

ladrummond@berkeley.edu

Computer Scientist with over 30 years of demonstrated experience in High-Performance Computing (HPC) and Computational Sciences research and accredited with the highest academic European degree;Habilitation to Direct Research. University of California, Berkeley Faculty in the Master of Molecular Science and Software Engineering in the College of Chemistry, where he also leads the Master’s Capstone project and collaborations. For over 15 years, he is Adjoint Faculty at San Diego State University and has served as faculty at The Polytechnic University of Valencia in Spain. Data Scientist working with International Economics Trade Models for Ecological Footprint calculations and data analysis of global land use. Formerly staff scientist at the Lawrence Berkeley National Laboratory and the U.S. Department of Energy for over 15 years. Fulbright and Encyclopedia Britannica Scholar. Executive Board Leadership Experience for two non-profit organizations. Fluent in English, Spanish and French.

Mike Cheng

Faculty & Leadership Boot Camp Lead

Mr. Mike Cheng is a retired senior executive of a Silicon Valley technology company with 30 years of general management, operations management, and marketing experience, and senior adjunct professor of management at the Ageno School of Business, Golden Gate University. He served as Golden Gate University’s MBA Program Director from 2015 to 2017 and led the redesign and launch of their current MBA and EMBA programs. His teaching interests are in business strategy formulation and execution, and corporate social responsibilities. Mr. Cheng has served as an advisory board member in UC Berkeley’s Rausser College of Natural Resources (RCNR) and is a frequent workshop leader in RCNR’s Beahrs Environmental Leadership Program. Mr. Cheng is a Management of Technology Companies graduate from the American Electronics Association/Stanford Executive Institute. He holds an MBA in General Management from Golden Gate University and received a BS in Chemical Engineering from the University of California, Berkeley.

Teresa Head-Gordon

Faculty Director of MSSE

thg@berkeley.edu

Prof. Teresa Head-Gordon is Chancellor’s professor of chemistry, bioengineering, and chemical and biomolecular engineering. She is a member of the Pitzer Center for Theoretical Chemistry, is on the Board of Directors of the Molecular Sciences Software Institute, is a Fellow of the American Chemical Society, and is also the co-director of CalSov. She is an elected fellow of the American Institute for Medical and Biological Engineering for her contributions to the computational methodologies for macromolecular assemblies. Prof Head-Gordon’s research group develops software packages for molecular simulations and she has recently received funding from the C3.ai Digital Transformation Institute for her COVID-19 project entitled ” Small Molecule Drug Discovery for COVID-19 Using Physics-Inspired Machine Learning”.

Martin Head-Gordon

Faculty

m_headgordon@berkeley.edu

Prof Head-Gordon is The Kenneth S. Pitzer Distinguished Professor of Chemistry. He is a member of the National Academy of Sciences, an American Chemical Society Fellow, a member of the American Academy of Arts and Sciences, and member of the International Academy of Quantum Molecular Sciences. Professor Head-Gordon’s studies in theoretical chemistry attack the frontiers of electronic structure calculations by the development of novel theories and algorithms. His research centers on the development and application of electronic structure theories, to permit the treatment of problems that are currently beyond the reach of standard methods. Within electronic structure theory, Martin Head-Gordon is known for the development of linear scaling methods for performing density functional theory calculations, for new methods for calculating electronic excited states, and for advances in electron correlation methods, including widely used density functionals. Additionally, he works on applications that include modeling catalysis and a diverse range of intermolecular interactions. Prof. Head-Gordon’s group has actively contributed to the Q-Chem program package and has collaborated with Q-Chem Inc. on the development of linear-scaling density functional methods, and local correlation methods.

Luis Crivelli

Faculty

Luis Crivelli has a PhD in Aerospace Engineering. His doctoral work was on Large Deformation Finite Elements under Professor Carlos Felippa. His postdoctoral work was on Parallel Computing with Professor Charbel Farhat. He is among the first developers of FETI. In 1992 he joined Hibbitt, Karlsson, and Sorensen (HKS) , the developers of ABAQUS, the most advanced nonlinear finite element software. He has been responsible for a number of projects that afforded ABAQUS a leadership position in High Performance Computing.

James Demmel

Faculty

He received his B.S. in Mathematics from Caltech in 1975 and his Ph.D. in Computer Science from UC Berkeley in 1983. After spending six years on the faculty of the Courant Institute, New York University; he joined the Computer Science Division and Mathematics Departments at Berkeley in 1990, where he holds joint appointments. Professor Demmel is an ACM Fellow, a SIAM Fellow, an IEEE Fellow, and a member of both the National Academy of Engineering and the National Academy of Science. He has also won the IEEE Computer Society Sydney Fernbach Award for "computational science leadership in creating adaptive, innovative, high performance linear algebra software."

Kathy Yellck

Faculty

Yelick, who joined Berkeley in 1991, is also the Robert S. Pepper Distinguished Professor of Electrical Engineering and Computer Sciences and a senior advisor on computing at Lawrence Berkeley National Laboratory. Yelick’s research centers on high-performance computing, programming systems, parallel algorithms, and computational genomics. She is well known for her Partitioned Global Address Space languages work and has won several awards. She earned her Ph.D. in electrical engineering and computer science from the Massachusetts Institute of Technology (MIT).

Aydin Buluc

Faculty

I am a Staff Scientist at the Lawrence Berkeley National Lab (Computational Research Division) and an Adjunct Assistant Professor of EECS (CS Division) at UC Berkeley. I work on high-performance graph analysis and libraries, parallel sparse matrix computations, communication-avoiding algorithms, with applications in machine learning and computational genomics.

Jessica Nash

Faculty

janash@vt.edu

Jessica Nash is a Software Scientist and the Education Lead at The Molecular Sciences Software Institute. She completed her PhD at North Carolina State University in Materials Science and Engineering, where she studied DNA nano-materials using molecular dynamics simulations. Since joining MolSSI in 2017, her work has focused on the development and improvement of software in the computational molecular sciences. She currently works as the lead developer for the web dashboard for MolSSI’s project SEAMM (Simulation Environment for Atomistic and Molecular Simulation). As Education Lead for the Institute, she develops educational materials for researchers which enhance their capabilities to write code and use computational molecular science software.

Benjamin Pritchard

Faculty

bpp4@vt.edu

Dr. Ben Pritchard is a software scientist at MolSSI. His PhD thesis research was largely focused on computation of paramagnetic nuclear magnetic resonance (NMR) using density functional theory. He has a passion for programming, with a particular focus on C++, Python, and how a marriage of the two can be used in forming coherent frameworks in computational chemistry.