Vinícius Wilian D. Cruzeiro

SLAC National Accelerator Laboratory — United States

Physics and Astronomy · Physical Sciences

17h-index2.4kcitations61works24.72yr avg
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Research Topics

Spectroscopy and Quantum Chemical Studies(25), Photosynthetic Processes and Mechanisms(14), Machine Learning in Materials Science(14), Protein Structure and Dynamics(13), Advanced Chemical Physics Studies(10)

Publications61 total

Recent Developments in Amber Biomolecular Simulations
Journal of Chemical Information and Modeling·2025· 35 citedOpen Access
Conformational ensembles reveal the origins of serine protease catalysis
Science·2025· 30 cited
Conformational Ensembles Reveal the Origins of Serine Protease Catalysis
2024· 9 citedOpen Access
AmberTools
Journal of Chemical Information and Modeling·2023· 1.6k citedOpen Access
1b1 splitting in the X-ray emission spectrum of liquid water is dominated by ultrafast dissociation
2023· 4 citedOpen Access
1b1 splitting in the X-ray emission spectrum of liquid water is dominated by ultrafast dissociation
Research Square (Research Square)·2023Open Access
1b1 splitting in the X-ray emission spectrum of liquid water is dominated by ultrafast dissociation
Zenodo (CERN European Organization for Nuclear Research)·2023Open Access
TeraChem protocol buffers (TCPB): Accelerating QM and QM/MM simulations with a client–server model
The Journal of Chemical Physics·2023· 21 citedOpen Access
Review for "<scp>SARS‐CoV</scp>‐2 main protease mutation analysis via a kinematic method"
2022
TeraChem Protocol Buffers (TCPB): Accelerating QM and QM/MM Simulations with a Client-Server Model
2022· 2 citedOpen Access
Uptake of N2O5 by aqueous aerosol unveiled using chemically accurate many-body potentials
Nature Communications·2022· 34 citedOpen Access
Data for molecular dynamics simulations of Escherichia coli cytochrome bd oxidase with the Amber force field
Data in Brief·2021· 7 citedOpen Access
Insights Into the Uptake of N2O5 by Aqueous Aerosol Using Chemically Accurate Many-Body Potentials
2021Open Access
Insights Into the Uptake of N2O5 by Aqueous Aerosol Using Chemically Accurate Many-Body Potentials
2021Open Access
Amber 2021: Reference Manual
Open Repository and Bibliography (University of Luxembourg)·2021· 171 cited
Harnessing the Power of Multi-GPU Acceleration into the Quantum Interaction Computational Kernel Program
Journal of Chemical Theory and Computation·2021· 39 cited
Highly Accurate Many-Body Potentials for Simulations of N <sub>2</sub> O <sub>5</sub> in Water: Benchmarks, Development, and Validation
Journal of Chemical Theory and Computation·2021· 23 citedOpen Access
bd oxidase force field parameters
Zenodo (CERN European Organization for Nuclear Research)·2021Open Access
shirleyahn/bd_oxidase_ff: First release
2021· 1 citedOpen Access
bd oxidase force field parameters
Zenodo (CERN European Organization for Nuclear Research)·2021Open Access
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Frequent Co-authors

Adrián E. Roitberg(16), Andreas Goetz(16), Kenneth M. Merz(9), Madushanka Manathunga(8), Ronak Roy(8), Andreas W. Götz(7), Todd J. Martı́nez(6), Francesco Paesani(6), Hasan Metin Aktulga(5), Chi Jin(4), Elisa Pieri(4), Surl-Hee Ahn(4), Christian Seitz(4), J. Andrew McCammon(4), David A. Case(3), David S. Cerutti(3), Koushik Kasavajhala(3), Tai‐Sung Lee(3), Jason Swails(3), Xiongwu Wu(3)