Julio Maia
Research Programmer for NAMD since July, 2018.
Has worked on improving MOPAC's performance,
a semiempirical quantum energy software,
as well as integrating it with NAMD for hybrid QM/MM
simulations, with professor Gerd Rocha.
Loves science and HPC.
Home Department: Beckman Institute
Office Address: BI 3061
Office Phone: 217-244-1928
Email Address: jmaia@ks.uiuc.edu
Education
- M.S., Computer Science, Federal University of Paraiba, 2018
- B.S., Computer Science, Federal University of Paraiba, 2015
Research Interests
- Free-Energy Methods
- Hybrid QM/MM Simulations
- Semiempirical Quantum Chemistry Methods
- Linear-Scaling Approaches for Quantum Chemistry
- GPGPU Programming
Publications
-
Scalable molecular dynamics on CPU and GPU architectures with NAMD
James C Phillips, David J Hardy, Julio DC Maia, John E Stone, Joao V Ribeiro, Rafael C Bernardi, Ronak Buch, Giacomo Fiorin, Jérôme Hénin, Wei Jiang, Ryan McGreevy, Marcelo CR Melo, Brian K Radak, Robert D Skeel, Abhishek Singharoy, Yi Wang, Benoît Roux, Aleksei Aksimentiev, Zaida Luthey-Schulten, Laxmikant V Kalé, Klaus Schulten, Christophe Chipot, Emad Tajkhorsh The Journal of Chemical Physics, 153:044130, 2020. -
NAMD goes quantum: an integrative suite for hybrid simulations
Marcelo C. R. Melo, Rafael C. Bernardi, Till Rudack, Maximilian Scheurer, Christoph Riplinger, James C. Phillips, Julio D. C. Maia, Gerd B. Rocha, Joao V. Ribeiro, John E. Stone, Frank Neese, Klaus Schulten & Zaida Luthey-Schulten Nature Methods, 15:351-354, 2018. -
GPU Linear Algebra Libraries and GPGPU Programming for Accelerating MOPAC Semiempirical Quantum Chemistry Calculations
Julio D.C. Maia, Gabriel Aires Urquiza Carvalho, Carlos Peixoto Mangueira, Jr., Sidney Ramos Santana, Lucidio dos Anjos Formiga Cabral and Gerd B. Rocha Journal of Chemical Theory and Computation, 8:3072-3081, 2012.
