About
Highly accomplished Associate Professor and Lead Computational Scientist with over 20 years of expertise in High Performance Computing (HPC), parallel programming, and advanced computational chemistry and physics. Proven track record in developing commercial and research software, leading multidisciplinary projects in Machine Learning, Quantum Chemistry, and High Energy Physics, and driving innovation in cloud and FPGA-based computing solutions. Recognized for significant contributions to scientific publications and awarded for pioneering work in reconfigurable computing.
Work
University G. D'Annunzio Chieti-Pescara
|Associate Professor
Chieti-Pescara, Abruzzo, Italy
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Summary
Leads teaching in General and Inorganic Chemistry, manages IT infrastructure for the Theoretical Inorganic Chemistry Group, and collaborates on Machine and Deep Learning and cheminformatics research.
Highlights
Taught General and Inorganic Chemistry courses, guiding hundreds of students in Biomedical Engineering and foundational sciences.
Managed and optimized network, servers, and HPC resources for the Theoretical Inorganic Chemistry Group, ensuring 99.9% system uptime for critical research.
Collaborated on interdisciplinary research projects, applying Machine Learning and Deep Learning techniques to bio- and cheminformatics.
Contributed to the development of advanced computational methods, enhancing research capabilities in complex chemical systems.
CNR SCITEC
|Researcher
Perugia, Umbria, Italy
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Summary
Collaborates with the University of Perugia on relativistic DFT software development and with ISTM (CNR) on hybrid and organic photovoltaics projects, advancing computational chemistry.
Highlights
Developed and enhanced relativistic Density Functional Theory (DFT) software, contributing to cutting-edge computational chemistry research.
Collaborated on projects related to hybrid and organic photovoltaics, advancing materials science for sustainable energy applications.
Contributed to the Computational Laboratory for Hybrid and Organic Photovoltaics (CLHYO) initiatives, fostering inter-institutional research.
CERN (European Organization for Nuclear Research)
|Software Engineer
Genève, Geneva, Switzerland
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Summary
Engaged in developing and testing track fitting algorithms for the CMS experiment's L1 Track Triggering, utilizing FPGA and Associative Memory to prevent data loss in the upgraded LHC.
Highlights
Developed and rigorously tested track fitting algorithms for the CMS experiment's L1 Track Triggering, ensuring efficient real-time trace reconstruction of charged particles.
Implemented algorithms on FPGA using Associative Memory, significantly optimizing data processing for the Large Hadron Collider (LHC) upgrade.
Engineered a PCA fitter for L1 track finding (github.com/lstorchi/pca_fit) and integrated it into the CMSSW framework (github.com/lstorchi/cmssw), enhancing system capabilities.
Presented research findings and project progress at numerous CERN meetings and Tracker week Phase II upgrade days, contributing to collaborative scientific advancement.
INFN (National Institute of Nuclear Physics)
|Researcher
Perugia, Umbria, Italy
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Summary
Conducts research for the CMS experiment, focusing on cloud computing, OCP projects, and applying Machine Learning to High Energy Physics (HEP) and medical data.
Highlights
Led research into innovative cloud computing paradigms for the CMS experiment, optimizing infrastructure for future computing models.
Contributed to Open Cloud Platform (OCP) projects, enhancing distributed computing solutions for large-scale scientific data.
Awarded an Iron Medal at 'Innovate FPGA2018' for contributions to 'Reconfigurable Computing,' demonstrating leadership in hardware acceleration.
Applied Machine Learning techniques to HEP and medical data, improving data analysis and interpretation for complex datasets.
London, England, UK
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Summary
Served as a scientific consultant and programmer, developing and optimizing commercial software for molecular discovery, significantly contributing to the company's product portfolio.
Highlights
Developed and optimized core components for commercial software including libgrid/grid, MoKa, and DeepGrid, enhancing drug discovery and molecular analysis capabilities.
Contributed to the development of in-silico pKa computation (MoKa), tautomer enumeration (libtaut/tauthor), and logD/logP prediction (liblogd), improving predictive modeling accuracy.
Enhanced molecular interaction field (MIF) analysis and protein pKa prediction (MoKaBio), leading to more robust and reliable computational results.
Acquired and applied proficiency in the Qt framework for commercial software development, improving user interface and application functionality.
University G. D'Annunzio Chieti-Pescara
|Researcher, Assistant Professor
Chieti-Pescara, Abruzzo, Italy
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Summary
Conducted research, taught General and Inorganic Chemistry, managed IT infrastructure, and collaborated on Computational Finance projects, contributing to both academic and applied science.
Highlights
Taught General and Inorganic Chemistry courses, educating students and contributing to curriculum development over nine years.
Administered systems and networks for the Theoretical Inorganic Chemistry Group, maintaining essential research infrastructure.
Collaborated on Computational Finance projects, developing High-Performance Computing code for financial risk evaluation.
Contributed to bio and cheminformatics research, leveraging computational methods for scientific discovery and analysis.
ISTM-CNR (Institute of Molecular Science and Technologies)
|Staff Scientist
Perugia, Umbria, Italy
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Summary
Conducted research focused on implementing and optimizing non-relativistic and relativistic DFT codes for parallel computer architectures and GPU environments.
Highlights
Implemented and optimized non-relativistic and relativistic DFT codes for parallel computing architectures, including GPU, enhancing computational efficiency.
Developed software and computational techniques for the simulation and characterization of TiO2 nanostructured materials, advancing materials science research.
Improved Python programming and Visualization Toolkit (VTK) skills, applying them to complex computational geometry problems.
CRC (Center for Research on Climate and Climate Change)
|Programmer Scientific Consultant
Perugia, Umbria, Italy
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Summary
Optimized and ported meteorological platform codes to multi and many-core HPC environments, significantly improving performance for climate research.
Highlights
Optimized and ported meteorological platform codes to multi- and many-core HPC environments, achieving substantial performance improvements for climate simulations.
Provided scientific consulting and programming expertise, contributing to advanced climate modeling initiatives.
2b Solutions S.R.L.
|Programmer Consultant
Perugia, Umbria, Italy
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Summary
Developed a database synchronization tool for the Joomla! platform as part of the 'Tazebao of the XXI century' project.
Highlights
Developed a Python-based tool for database synchronization on the Joomla! platform, ensuring efficient data management for the 'Tazebao of the XXI century' project.
INFN (National Institute of Nuclear Physics)
|Staff Scientist
Perugia, Umbria, Italy
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Summary
Evaluated computational needs for the Einstein Telescope project, developed codes for gravitational signal analysis, and co-wrote the Design Study, contributing to cutting-edge physics research.
Highlights
Developed and optimized codes for gravitational signal analysis within the Einstein Telescope project, leveraging Many-Core (GPGPU) programming techniques.
Co-wrote the Design Study for the Einstein Telescope, providing critical input for project planning and execution.
Acquired foundational skills in Digital Signal Processing (DSP) and advanced Many-Core programming.
Served as a staff organizer for HOPV2010 as a consultant for the Italian Chemical Society.
Department of Chemistry University of Perugia
|Staff Scientist
Perugia, Umbria, Italy
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Summary
Held a research grant for theoretical studies of ionized states, developed and parallelized code, and served as a Systems and Network Administrator.
Highlights
Developed and parallelized code for the theoretical study of lifetimes of ionized states, advancing research in non-Hermitian Green functions.
Administered systems and networks for ISTM and the Department of Chemistry, ensuring robust IT infrastructure for research activities.
Provided scientific consulting and programming for the CRC, optimizing and managing parallel codes for convective weather simulation in HPC environments.
Department of Chemistry University of Perugia
|Ph.D. Student
Perugia, Umbria, Italy
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Summary
Conducted PhD research in Computational Chemistry, focusing on innovative strategies for quantum chemistry, and managed IT systems as a System and Network Administrator.
Highlights
Successfully completed Ph.D. with a thesis on 'Innovative computational strategies for ab-initio Quantum Chemistry: Grid Computing and novel Green's function techniques'.
Administered and configured network and servers (DNS, mail, DHCP, web servers) and clustered HPC Beowulf resources for ISTM and the Department of Chemistry.
Developed the not-Dyson ADC(3) method for molecular ionization spectra and a Java Servlet portal for potential energy surface simulations on a computing grid.
Contributed to the architectural and software aspects of the Chemgrid project, enhancing distributed computing for chemical applications.
Department of Computer Science University of Pisa
|Research Grant
Pisa, Tuscany, Italy
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Summary
Developed codes for the ASSIST parallel environment and a methodology for dynamic memory allocation within high-performance distributed platforms.
Highlights
Developed codes for the ASSIST parallel environment, contributing to chemical applications on high-performance distributed platforms.
Created a methodology for dynamic memory allocation within the ASSIST framework, optimizing resource utilization and system efficiency.
ISTM (Institute of Molecular Science and Technologies) Department of Chemistry University of Perugia
|Research Grant
Perugia, Umbria, Italy
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Summary
Engaged in programming across various scientific fields, supported system management and networking, and conducted research on parallelization of computational chemistry programs.
Highlights
Programmed in diverse scientific fields, supporting skilled personnel in system management and networking activities.
Conducted research on parallelization of computational chemistry programs using Message Passing and Shared Memory techniques, improving computational speed.
Developed ASSIST patterns and parallel programs, collaborating with the Italian Space Agency (ASI) and the Department of Computer Science (University of Pisa).
Education
Università degli Studi di Perugia
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Ph.D. in Chemistry
Computational Chemistry
Università degli Studi di Perugia
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Bachelor's degree in Chemistry
Chemical Physics
Grade: 110/110 cum laude
Awards
Consultancy Contract for Machine and Deep Learning techniques
Awarded By
University of Perugia (Project VITALITY)
Awarded a consultancy contract for expertise in Machine and Deep Learning techniques within the VITALITY project.
Top Downloaded Article (Wiley)
Awarded By
Wiley (Journal of Computational Chemistry)
Recognition for the publication 'Combining Machine Learning and Quantum Mechanics Yields More Chemically-Aware Molecular Descriptors for Medicinal Chemistry Applications'.
2020 HOT Article
Awarded By
Physical Chemistry Chemical Physics
Recognition for the publication 'Spin-orbit coupling is the key to unraveling intriguing features of the halogen bond involving astatine'.
Iron Medal at Innovate FPGA 2018
Awarded By
Intel
Awarded as part of the BondMachine project for contributions to 'Reconfigurable Computing', presented at Intel San Jose, CA, USA.
Qualified as Full Professor in General and Inorganic Chemistry (ASN - MIUR)
Awarded By
ASN - MIUR (Italian Ministry of Education, Universities and Research)
Achieved qualification as Full Professor in General and Inorganic Chemistry.
Publications
Languages
Italian
English
French
Skills
Data Management
Data Lake, Smart Caching, Database Management.
Programming Languages
C/C++, Python, Fortran 77/90, Java, Pascal, Basic, x86 Assembly.
High Performance Computing (HPC)
Parallel Computing, Distributed Computing, Grid Computing, Cloud Computing, MPI, Posix Thread, OpenMP, GlobalArray, ScaLAPACK, GPGPU (CUDA, OpenCL), Code Optimization, Computational Architecture (CPU, Memory).
Computational Chemistry & Physics
Quantum Chemistry, Ab-Initio Quantum Chemistry, Computational Chemistry, Computational Physics, Relativistic DFT, Green's Function Techniques, Molecular Dynamics, Cheminformatics, Molecular Modeling, Drug Discovery, TiO2 Nanostructured Materials Simulation, Gravitational Signal Analysis.
Machine Learning & AI
Machine Learning, Deep Learning, Neural Networks, Data Analysis, Pattern Recognition.
Operating Systems & Networking
Linux, Unix, Microsoft Operating Systems, Network Administration, DNS, Mail Server, DHCP Server, Web Server, Network Protocols, Systems Engineering.
Hardware Acceleration
FPGA (Field-Programmable Gate Array), Associative Memory, GPU Computing.
Software Development & Tools
Commercial Software Development, Research Software Development, Qt Framework, VTK (The Visualization Toolkit), Joomla!, CMSSW Framework, Database Synchronization.
Scientific Domains
High Energy Physics (HEP), Computational Finance, Materials Science, Photovoltaics, Climate Change, Biomolecules.
Projects
BERTHA and PyBERTHA Development
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Summary
Implementation, optimization, and parallelization of BERTHA (Four-Component Relativistic DFT code) and PyBERTHA for simulating big structures involving heavy and super heavy atoms.
PaGUSci Project: Parallelization and GPU Porting of Scientific Codes
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Summary
Principal Investigator for a project within the Cascading Call issued by Spoke 3, focusing on the implementation of the 'National Centre for HPC, Big Data and Quantum Computing' research.
Open City Platform (OCP)
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Summary
Research, development, and testing of new open, interoperable, and usable-on-demand cloud technology solutions, along with innovative organizational models for sustainable service delivery by Local Government Administrations.
Chemgrid Project
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Summary
A collaborative project focused on the architectural and software aspects of grid computing for chemical applications.