Vanessa Lopez-Marrero
Computational Scientist, Applied Mathematics, Computational Science Initiative

Brookhaven National Laboratory
Computational Science Initiative
Bldg. 725
P.O. Box 5000
Upton, NY 11973-5000
My research interests are in computational and applied mathematics, dynamical systems, and modeling and numerical simulation of complex systems. Currently I work on devising numerical methods to enable predictive capabilities for digital twins. This includes research in computational (optimal) measure transport, scientific machine learning (including neural operator learning), mathematics of data science / artificial intelligence, and modeling & simulation of complex dynamical systems governed by partial differential equations.
I am also an affiliate at the Institute for Advanced Computational Science (IACS) at Stony Brook University and a member of the U.S. Department of Energy's Advanced Scientific Computing Advisory Committee (ASCAC).
Expertise | Education | Appointments | Publications | Awards | Certifications
Expertise
- Computational and Applied Mathematics
- Computational Science and Engineering
- Scientific Computing
- Modeling and Numerical Simulation of Complex Systems
- Numerical Solution of (Nonlinear) Partial Differential Equations (Initial / Boundary Value Problems)
- Numerical Solution of Systems of Nonlinear Algebraic Equations
- Numerical Linear Algebra
- Inverse Problems
- Dynamical Systems
- Computational (Optimal) Measure Transport
- Scientific Machine Learning
- Neural Operator Learning
- Physics-Informed ML/AI
Education
Ph.D., Computer Science (Numerical Analysis), University of Illinois at Urbana-Champaign, 2004
B.A., Mathematics, Rutgers University, New Brunswick, NJ, 1997
B.B.A., Computer Information Systems, University of Puerto Rico, Rio Piedras, PR, 1993
Professional Appointments
2020 - Present, Computational Scientist, Applied Mathematics, Computational Science Initiative (CSI), Brookhaven National Laboratory
2022 - Present, Adjunct Assistant Professor, Institute for Advanced Computational Science (IACS), Stony Brook University
2006 - 2020, Research Staff Member, Mathematical Sciences Department, IBM Thomas J. Watson Research Center
2005 - 2006, Postdoctoral Fellow, Computational Research Division, Lawrence Berkeley National Laboratory
2004 - 2005, Postdoctoral Research Associate in Computational Science and Engineering, University of Illinois at Urbana-Champaign
1999 - 2004, Research Assistant in Computational Science and Engineering, University of Illinois at Urbana-Champaign
2001, Graduate Student Intern (Summer), Computational Science Division, Sandia National Laboratory
1998, Teaching Assistant, Computer Science Department, University of Illinois at Urbana-Champaign
1998, Givens Associate (Summer), Mathematics and Computer Science Division, Argonne National Laboratory
1997, Student Intern (Summer), Imaging Science Technology Lab, Eastman Kodak Company
1993 - 1997, Software Developer, Operations Technology Center, AT&T
1992, Undergraduate Student Intern (Summer), NASA Goddard Space Flight Center
1990 - 1992, Software Developer, School of Law, University of Puerto Rico
Selected Publications
- López-Marrero V, Johnstone PR, Park G, Luo X (2024) Density estimation via measure transport: Outlook for applications in the biological sciences. Statistical Analysis and Data Mining: The ASA Data Science Journal 17:. https://doi.org/10.1002/sam.11687
- Atif M, López-Marrero V, Zhang T, et al (2024) Towards accelerating particle-resolved direct numerical simulation with neural operators. Statistical Analysis and Data Mining: The ASA Data Science Journal 17:. https://doi.org/10.1002/sam.11690
- Zhang T, Li L, López-Marrero V, et al (2024) Emulator of PR-DNS: Accelerating Dynamical Fields With Neural Operators in Particle-Resolved Direct Numerical Simulation. Journal of Advances in Modeling Earth Systems 16:. https://doi.org/10.1029/2023ms003898
- Kalantzis V, Squillante M, Ubaru S, Gokmen T, Wu C, Gupta A, Avron H, Nowicki T, Rasch M, Onen M, Lopez-Marrero V, Leobandung E, Kohda Y, Haensch W, Horesh L (2024) Multi-Function Multi-Way Analog Technology for Sustainable Machine Intelligence Computation. doi: 10.48550/arXiv.2401.13754
- López V (2018) Numerical continuation of invariant solutions of the complex Ginzburg–Landau equation. Communications in Nonlinear Science and Numerical Simulation 61:248–270. doi: 10.1016/j.cnsns.2018.01.019
- López V (2017) Simulating Heat and Mass Transfer with Limited Amount of Sensor Data. Mathematics in Industry 673–680. doi: 10.1007/978-3-319-63082-3_101
- Klein L, Bermudez S, Schrott A, Tsukada M, Dionisi-Vici P, Kargere L, Marianno F, Hamann H, López V, Leona M (2017) Wireless Sensor Platform for Cultural Heritage Monitoring and Modeling System. Sensors 17:1998. doi: 10.3390/s17091998
- Jiang H, Deng X, López V, Hamann HF (2016) Online Updating of Computer Model Output Using Real-Time Sensor Data. Technometrics 58:472–482. doi: 10.1080/00401706.2015.1080761
- Hamann HF, López V (2012) Data Center Metrology and Measurement-Based Modeling Methods. Energy Efficient Thermal Management of Data Centers 273–334. doi: 10.1007/978-1-4419-7124-1_7
- López V, Hamann HF (2011) Heat transfer modeling in data centers. International Journal of Heat and Mass Transfer 54:5306–5318. doi: 10.1016/j.ijheatmasstransfer.2011.08.012
- Hamann HF, van Kessel TG, Iyengar M, Chung J-Y, Hirt W, Schappert MA, Claassen A, Cook JM, Min W, Amemiya Y, Lopez V, Lacey JA, O'Boyle M (2009) Uncovering energy-efficiency opportunities in data centers. IBM Journal of Research and Development 53:10:1–10:12. doi: 10.1147/jrd.2009.5429023
- Donde V, Lopez V, Lesieutre B, Pinar A, Chao Yang, Meza J (2008) Severe Multiple Contingency Screening in Electric Power Systems. IEEE Transactions on Power Systems 23:406–417. doi: 10.1109/tpwrs.2008.919243
- Mello UT, Lopez V, Conn A, Scheinberg K, Zhang H, Henderson M, Xu L, Levin SA (2007) Assisted seismic matching: Joint inversion of seismic, rock physics, and basin modeling. SEG Technical Program Expanded Abstracts 2007. doi: 10.1190/1.2792862
- López V, Boyland P, Heath MT, Moser RD (2005) Relative Periodic Solutions of the Complex Ginzburg—Landau Equation. SIAM Journal on Applied Dynamical Systems 4:1042–1075. doi: 10.1137/040618977
Awards & Recognition
IBM Corporate Award: Sensor-Based Physical Analytics, 2014
IBM Outstanding Technical Achievement Award: Measurement and Management Technologies, 2013
IBM Corporate Environmental Innovation Award: Measurement and Management Technologies, 2009
Fulton Watson Copp Chair in Computer Science Research Assistantship, UIUC, 2003 - 2004
SURGE Fellow, UIUC, 1997 - 2004
GEM Fellow, UIUC, 1997 - 1998
Lawrence Corwin Memorial Mathematics Prize, Rutgers University, 1997
Honor Roll Scholarship: Covered tuition for top 5% of class at the University of Puerto Rico, Rio Piedras, 1989 - 1993
Certifications
Certificate of Graduate Specialization in Computational Science and Engineering (CSE), University of Illinois at Urbana-Champaign, 2004

Brookhaven National Laboratory
Computational Science Initiative
Bldg. 725
P.O. Box 5000
Upton, NY 11973-5000