Current Graduate Students

Darren Demapan

P-chem student (2014-present)

Darren received his B.S. degree from Stanford University, where he studied non-heme iron protein electronic structure via spectroscopy. Having tasted computational modelling of biological systems, he is interested in developing his skill in simulating, through QM/MM techniques, metalloenzyme reactivity. An important theme of his work is to understand what is the appropriate method and level of theory that efficiently and accurately describe biological activities.

Gladys Diaz-Vazquez

Biophysics student (2014-present)

Gladys received her B.S from University of Puerto Rico, Rio Piedras Campus; she also conducted undergrad research in the labs of B. Lentz and M. Berkowitz at UNC-Chapel Hill, where she became interested in membrane biophysics. She is currently a joint student under Qiang Cui and Alessandro Senes. Her interests are in membrane biophysics, specifically in the understanding and development of computational and theoretical techniques for the study of lipid membranes and the different phenomena in which biological membranes are involved.

Tanmoy Pal

Chemistry student (2016-present)

Tanmoy completed his B.S. from Indian Institute of Science, Bengaluru (IISc). At IISc, he studied molecular clusters using ab-initio molecular dynamics. His current interests are using ab-initio molecular dynamics and QM/MM to study biophysical and nano-materials systems. He is excited to learn new computational methods and programming techniques.

Yuchen Yuan

Chemistry student (2018-present)

Yuchen received his bachelor’s degree from Xiamen University, China and master’s degree from the Institute of Chemistry, Chinese Academy of Sciences, where he conducted research on metal and porous nanomaterials. Currently, he is a graduate student in Prof. Cui’s group at BU. His research interest now lies in the molecular dynamics simulations of biomolecules. In particular, he has been trying to understand the molecular basis of allosteric regulation in proteins. He is also interested in the general development of methodologies that can facilitate the theoretical analysis of slow dynamics in biomolecules, especially those based on modern machine learning techniques.

Jiahua Deng

Chemistry student (2019-present)

Jiahua received her bachelor’s degree in chemistry from Xiamen University, China. She conducted research on transition metal oxide nanomaterials and their applications in photocatalysis/lithium-ion batteries. Her current research interests include both classical molecular dynamics simulations and QM/MM computations. In particular, she has worked on understanding the importance of electronic polarization and water penetration to the stabilization of buried charges in proteins, as well as the molecular mechanism of allostery in a transcription factor. She is currently analyzing the catalytic mechanisms of several enzymes using QM/MM free energy simulations.

Zhuang Liu

Physics student (2019-present)

Zhuang obtained his B.S. degree in Chemistry from Peking University, where he was particularly interested in physical chemistry. He was then a graduate student in chemical engineering at UCLA designing nanomaterials, where however, his interest in physics deepened. He is now interested in exploring how physical theories, especially statistical mechanics and quantum mechanics can be utilized to understand the phenomena of life.

Reilly Brown

Chemistry student (2020-present)

Reilly received his B.S. at the University of Vermont in Biochemistry with a minor in Pharmacology. His undergraduate research in the Schneebeli lab focused on organic synthesis and catalysis. After being exposed to computational chemistry, Reilly’s research interests focus on understanding mechanisms of biological and man-made catalysts through QM/MM simulations.